AC1N9B9X
N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: Oprea1_662661|F0417-0489|N-(5-((2-oxo-2-(p-tolylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide|N-[5-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-(pyrrolidine-1-sulfonyl)benzamide|N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C22H23N5O4S3 |
|---|---|
| Molecular Weight | 517.09125 g/mol |
| LogP | 3.61412 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.09125 |
| Monoisotopic Mass | 517.09125 |
| Heavy Atoms | 34 |
| Complexity | 1268.6287 |
Chemical Identifiers
| CAS Number | 392294-76-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4 |
Product Overview
AC1N9B9X (CAS 392294-76-7), with molecular formula C22H23N5O4S3 and molecular weight 517.09125 g/mol. IUPAC: N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
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