4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide

C18H21N3O4S — CID 46651946

IUPAC4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-13(2)21-26(24,25)16-11-9-15(10-12-16)18(23)20-19-17(22)14-7-5-4-6-8-14/h4-13,21H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAQNKEGPCBMVZNZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.84
Rot. Bonds6

About 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide

4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide (PubChem CID 46651946) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
PubChem CID46651946
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-13(2)21-26(24,25)16-11-9-15(10-12-16)18(23)20-19-17(22)14-7-5-4-6-8-14/h4-13,21H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAQNKEGPCBMVZNZ-UHFFFAOYSA-N
XLogP1.84
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 55535044
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168

Frequently Asked Questions

What is the IUPAC name of 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide (CID 46651946) is 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide?
The InChIKey is AQNKEGPCBMVZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-3-13(2)21-26(24,25)16-11-9-15(10-12-16)18(23)20-19-17(22)14-7-5-4-6-8-14/h4-13,21H,3H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide?
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 46651946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).