4-tert-butyl-N-[3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide

HCID 4540933

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Basic information

CAS: 1025010-60-9
Standard SMILES: CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIKey: GPULVHIZOALMOF-UHFFFAOYSA-N
Molecular formula: C22H29N3O4S
Average molar mass: 431.6 g/mol
Monoisotopic mass: 431.18787759

Names & identifiers

Preferred name: 4-tert-butyl-N-[3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide
IUPAC: 4-tert-butyl-N-[3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamide

Names & synonyms

MLS000774162CHEMBL1495389DTXSID901118677HMS2714G104-tert-butyl-N-[3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]benzamideAKOS0341664311025010-60-9N-[1-[[[3-(Aminosulfonyl)phenyl]amino]carbonyl]-2-methylpropyl]-4-(1,1-dimethylethyl)benzamideSMR000365003AB00598701-02Z31705071

Database identifiers

CAS: 1025010-60-9
PubChem CID: 4540933
DTXSID: DTXSID901118677
ChEMBL: CHEMBL1495389

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 127 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 701

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