C21H22N2O3S
methyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-({(2E)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate|(E)-methyl 2-(2-cyano-3-(4-isopropylphenyl)acrylamido)-4,5-dimethylthiophene-3-carboxylate|methyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate|methyl 2-{(2E)-2-cyano-3-[4-(methylethyl)phenyl]prop-2-enoylamino}-4,5-dimethy lthiophene-3-carboxylate
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.1351 g/mol |
| LogP | 4.82062 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1351 |
| Monoisotopic Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 931.5717 |
Chemical Identifiers
| CAS Number | 469876-77-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=C(C=C2)C(C)C)/C#N)C |
Product Overview
C21H22N2O3S (CAS 469876-77-5), with molecular formula C21H22N2O3S and molecular weight 382.1351 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
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