2-[benzenesulfonyl-(4-nitrophenyl)amino]-N-(2,4-dimethylpentan-3-yl)acetamide

HCID 2898751

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Basic information

CAS: 6448-97-1
Standard SMILES: CC(C)C(NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)C(C)C
InChIKey: NXUXGLKCTNWETE-UHFFFAOYSA-N
Molecular formula: C21H27N3O5S
Average molar mass: 433.5 g/mol
Monoisotopic mass: 433.16714214

Names & identifiers

Preferred name: 2-[benzenesulfonyl-(4-nitrophenyl)amino]-N-(2,4-dimethylpentan-3-yl)acetamide
IUPAC: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2,4-dimethylpentan-3-yl)acetamide

Names & synonyms

6448-97-12-[benzenesulfonyl-(4-nitrophenyl)amino]-N-(2,4-dimethylpentan-3-yl)acetamide2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2,4-dimethylpentan-3-yl)acetamideSCHEMBL20969335DTXSID10387637STL137064AKOS005715101SR-01000234870SR-01000234870-1N-(2,4-dimethylpentan-3-yl)-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamideN~2~-(Benzenesulfonyl)-N-(2,4-dimethylpentan-3-yl)-N~2~-(4-nitrophenyl)glycinamide

Database identifiers

CAS: 6448-97-1
PubChem CID: 2898751
DTXSID: DTXSID10387637
EC Number: 613-607-6

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 121 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 662

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