AC1NAG8J
methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
Also Known As: Oprea1_039318|F0526-2031|methyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)thiophene-3-carboxylate|methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-[4-(pyrrolidine-1-sulfonyl)benzamido]thiophene-3-carboxylate|methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
| Molecular Formula | C26H26N2O7S2 |
|---|---|
| Molecular Weight | 542.11816 g/mol |
| LogP | 4.19942 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.11816 |
| Monoisotopic Mass | 542.11816 |
| Heavy Atoms | 37 |
| Complexity | 1456.7759 |
Chemical Identifiers
| CAS Number | 476366-26-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
AC1NAG8J (CAS 476366-26-4), with molecular formula C26H26N2O7S2 and molecular weight 542.11816 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate.
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