4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide

C17H19N3O4S — CID 18513137

IUPAC4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC(CCc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C17H19N3O4S/c18-16(21)13-7-9-14(10-8-13)25(23,24)20-15(17(19)22)11-6-12-4-2-1-3-5-12/h1-5,7-10,15,20H,6,11H2,(H2,18,21)(H2,19,22)
InChIKeyNRMFPWQPORHSEL-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.55
Rot. Bonds8

About 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide

4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide (PubChem CID 18513137) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide
PubChem CID18513137
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC(CCc2ccccc2)C(N)=O)cc1
InChIInChI=1S/C17H19N3O4S/c18-16(21)13-7-9-14(10-8-13)25(23,24)20-15(17(19)22)11-6-12-4-2-1-3-5-12/h1-5,7-10,15,20H,6,11H2,(H2,18,21)(H2,19,22)
InChIKeyNRMFPWQPORHSEL-UHFFFAOYSA-N
XLogP0.55
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
4-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28541065
2-(benzenesulfonamido)pentanediamide
CID 71384470
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
2-[(4-carbamoylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43241523
ethyl 2-ethylidene-3-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoate
CID 156772253
(2S)-2-(benzenesulfonamido)-5-(diaminomethylideneamino)pentanamide
CID 40548649
4-(2-phenylethyl)benzamide
CID 23130460
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
2-acetamido-4-phenylbutanamide
CID 67451841
(2S)-2-(phenoxathiin-2-ylsulfonylamino)-4-phenylbutanoic acid
CID 15487605

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide (CID 18513137) is 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)NC(CCc2ccccc2)C(N)=O)cc1.
What is the InChIKey of 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide?
The InChIKey is NRMFPWQPORHSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c18-16(21)13-7-9-14(10-8-13)25(23,24)20-15(17(19)22)11-6-12-4-2-1-3-5-12/h1-5,7-10,15,20H,6,11H2,(H2,18,21)(H2,19,22).
What are the key properties of 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide?
4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide has a molecular weight of 361.42 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 18513137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).