4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide

C24H26N2O3S — CID 18207252

IUPAC4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-26(22-13-6-3-7-14-22)30(28,29)23-17-15-21(16-18-23)24(27)25-19-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-18H,8-9,12,19H2,1H3,(H,25,27)
InChIKeyPQOATOFPIVFZHK-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.26
Rot. Bonds9

About 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide

4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide (PubChem CID 18207252) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
PubChem CID18207252
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-26(22-13-6-3-7-14-22)30(28,29)23-17-15-21(16-18-23)24(27)25-19-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-18H,8-9,12,19H2,1H3,(H,25,27)
InChIKeyPQOATOFPIVFZHK-UHFFFAOYSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 51164053
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919272
3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 12064193
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide (CID 18207252) is 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCCc2ccccc2)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide?
The InChIKey is PQOATOFPIVFZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-26(22-13-6-3-7-14-22)30(28,29)23-17-15-21(16-18-23)24(27)25-19-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-18H,8-9,12,19H2,1H3,(H,25,27).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide?
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 18207252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).