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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=CS3 |
|---|---|
| IUPAC Name | N-(4-bromophenyl)-2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetamide |
| InChIKey | QFBZEXGXCQCLNJ-UHFFFAOYSA-N |
| INCHI | 1S/C18H14BrN3O2S2/c19-11-3-5-12(6-4-11)21-17(24)10-26-18-14(9-20)13(8-16(23)22-18)15-2-1-7-25-15/h1-7,13H,8,10H2,(H,21,24)(H,22,23) |
| Molecular Weight | 448.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | N-arylamides Tetrahydropyridines Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketene acetals Nitriles Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anilide - N-arylamide - Bromobenzene - Halobenzene - Tetrahydropyridine - Aryl bromide - Aryl halide - Hydropyridine - Heteroaromatic compound - Thiophene - Carboxamide group - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Carbonitrile - Nitrile - Carbonyl group - Cyanide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Not available |
| Molecular Weight | 448.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.971 Da |
| Monoisotopic Mass | 446.971 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 638.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![N-(4-bromophenyl)-2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide , CAS No.331852-32-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)