TL;DR: 2-cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)acetamide (CAS 1214083-46-1) is a chemical compound with molecular formula C14H14N4O4S and molecular weight 334.07358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
Also Known As: 5379AE, 2-CYANO-N-(4-{[(3,4-DIMETHYLISOXAZOL-5-YL)AMINO]-SULFONYL}PHENYL)ACETAMIDE, 2-cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)acetamide, 3,4-diacetyl-2,5-dimethyl-1-phenyl-pyrrole, 2-cyano-N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}acetamide
| Molecular Formula | C14H14N4O4S |
| Molecular Weight | 334.07358 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.07358 Da |
| Heavy Atoms | 23 |
| Complexity | 571.0 |
| SMILES | CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC#N |
| InChIKey | OJRYIUWXXBRFTC-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)acetamide. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)acetamide. Following Lipinski's Rule of Five, 2-cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)acetamide is 1214083-46-1.
The molecular formula of 2-cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)acetamide is C14H14N4O4S.
The molecular weight of 2-cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)acetamide is 334.07358 g/mol.
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