2-(2-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

HCID 178698043

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Basic information

CAS: 701944-95-8
Standard SMILES: CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O
InChIKey: KZZDNTOETTYPBF-UHFFFAOYSA-N
Molecular formula: C21H27N3O5S2
Average molar mass: 465.6 g/mol
Monoisotopic mass: 465.13921332

Names & identifiers

Preferred name: 2-(2-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
IUPAC: 2-(2-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
English name: 2-[2-ethyl(methylsulfonyl)anilino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide
Molecular formula: C21H27N3O5S2
Molecular weight: 465.58618

Names & synonyms

2-(2-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide2-[2-ethyl(methylsulfonyl)anilino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamideSTK946949AKOS000382140AH-487/42656576701944-95-8N~2~-(2-ethylphenyl)-N~2~-(methylsulfonyl)-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]glycinamide

Database identifiers

CAS: 701944-95-8
PubChem CID: 1007940

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 121 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 805

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