TL;DR: Crotonanilide, 2-methyl-4'-sulfanilyl- (CAS 101575-21-7) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[4-(4-aminophenyl)sulfonylphenyl]-2-methylbut-2-enamide
Also Known As: 2-Methyl-4'-sulfanilylcrotonanilide, CROTONANILIDE, 2-METHYL-4'-SULFANILYL-, (E)-N-[4-(4-aminophenyl)sulfonylphenyl]-2-methylbut-2-enamide
| Molecular Formula | C17H18N2O3S |
| Molecular Weight | 330.10382 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.10382 Da |
| Heavy Atoms | 23 |
| Complexity | 535.0 |
| SMILES | C/C=C(\C)/C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N |
| InChIKey | FKYCJJALFXMHNX-KGVSQERTSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotonanilide, 2-methyl-4'-sulfanilyl-. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonanilide, 2-methyl-4'-sulfanilyl-. Following Lipinski's Rule of Five, Crotonanilide, 2-methyl-4'-sulfanilyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Crotonanilide, 2-methyl-4'-sulfanilyl- is 101575-21-7.
The molecular formula of Crotonanilide, 2-methyl-4'-sulfanilyl- is C17H18N2O3S.
The molecular weight of Crotonanilide, 2-methyl-4'-sulfanilyl- is 330.10382 g/mol.
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