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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide |
| InChIKey | LGGQUIFNPWHYGW-UHFFFAOYSA-N |
| INCHI | 1S/C26H21FN4O2S2/c1-16-23(25(33)31-18-6-3-2-4-7-18)24(21-8-5-13-34-21)20(14-28)26(29-16)35-15-22(32)30-19-11-9-17(27)10-12-19/h2-13,24,29H,15H2,1H3,(H,30,32)(H,31,33) |
| Molecular Weight | 504.6 |
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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 Dihydropyridines Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Ketene acetals Nitriles Azacyclic compounds Sulfenyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anilide - N-arylamide - Dihydropyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Ketene acetal or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Carbonitrile - Nitrile - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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 | 504.600 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 504.109 Da |
| Monoisotopic Mass | 504.109 Da |
| Topological Polar Surface Area | 148.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 914.000 |
| 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 |
![5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide , CAS No.340808-71-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)