Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | NCCN(C(=O)c1cccs1)Cc1ccc(c(c1)OC)OCc1ccccc1 |
|---|---|
| IUPAC Name | N-(2-aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]thiophene-2-carboxamide |
| InChIKey | UOGGWHBYFVBUIY-UHFFFAOYSA-N |
| INCHI | 1S/C22H24N2O3S/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21/h2-10,13-14H,11-12,15-16,23H2,1H3 |
| Isomeric SMILES | COC1=C(C=CC(=C1)CN(CCN)C(=O)C2=CC=CS2)OCC3=CC=CC=C3 |
| PubChem CID | 11675630 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxamides |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles 2-heteroaryl carboxamides Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Phenol ether - Thiophene carboxamide - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide. |
| External Descriptors | Not available |
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| Molecular Weight | 396.500 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 396.151 Da |
| Monoisotopic Mass | 396.151 Da |
| Topological Polar Surface Area | 93.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 473.000 |
| 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 |
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