2-[(2,5-Dimethoxyphenyl)(phenylsulfonyl)amino]-N-(1-methylpropyl)acetamide

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Basic information

CAS: 333453-16-0
Standard SMILES: CCC(C)NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1
InChIKey: NPBKMAZGSVONLE-UHFFFAOYSA-N
Molecular formula: C20H26N2O5S
Average molar mass: 406.5 g/mol
Monoisotopic mass: 406.15624311

Names & identifiers

Preferred name: 2-[(2,5-Dimethoxyphenyl)(phenylsulfonyl)amino]-N-(1-methylpropyl)acetamide
IUPAC: 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-butan-2-ylacetamide

Names & synonyms

DTXSID3011455232-[(2,5-Dimethoxyphenyl)(phenylsulfonyl)amino]-N-(1-methylpropyl)acetamide333453-16-0N~2~-(Benzenesulfonyl)-N-butan-2-yl-N~2~-(2,5-dimethoxyphenyl)glycinamide

Database identifiers

CAS: 333453-16-0
PubChem CID: 3279136
DTXSID: DTXSID301145523

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 93.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 28
Formal charge: 0
Complexity: 586

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