for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC |
|---|---|
| IUPAC Name | ethyl 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| InChIKey | DLBGQOOEKFJMIX-UHFFFAOYSA-N |
| INCHI | 1S/C22H26N2O7S2/c1-3-31-22(26)19-15-5-4-6-18(15)32-21(19)23-20(25)16-13-14(7-8-17(16)29-2)33(27,28)24-9-11-30-12-10-24/h7-8,13H,3-6,9-12H2,1-2H3,(H,23,25) |
| Molecular Weight | 494.600 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzamides Benzenesulfonyl compounds Thiophene carboxylic acids and derivatives Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Organosulfonamides Morpholines Sulfonyls Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Phenol ether - Thiophene carboxylic acid or derivatives - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - Alkyl aryl ether - Oxazinane - Morpholine - Organosulfonic acid amide - Organosulfonic acid or derivatives - Vinylogous amide - Thiophene - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 494.600 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 494.118 Da |
| Monoisotopic Mass | 494.118 Da |
| Topological Polar Surface Area | 148.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 812.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![ethyl 2-(2-methoxy-5-(morpholinosulfonyl)benzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate , CAS No.496777-47-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)