SMSSF-0598732
2-[(4-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: F2558-0131|2-(4-(methylsulfonyl)benzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide|2-(4-methanesulfonylbenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide|2-(p-mesylbenzylamino)-1-thia-5,6,7,8-tetrahydro-4H-azulene-3-carboxamide|2-[(4-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C18H20N2O4S2 |
|---|---|
| Molecular Weight | 392.08646 g/mol |
| LogP | 2.7717 |
| Topological Polar Surface Area | 106.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.08646 |
| Monoisotopic Mass | 392.08646 |
| Heavy Atoms | 26 |
| Complexity | 959.82245 |
Chemical Identifiers
| CAS Number | 896344-83-5 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N |
Product Overview
SMSSF-0598732 (CAS 896344-83-5), with molecular formula C18H20N2O4S2 and molecular weight 392.08646 g/mol. IUPAC: 2-[(4-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
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