N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide

C24H26N2O3S — CID 8839615

IUPACN-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-3-4-19-26(22-13-9-6-10-14-22)24(27)20-15-17-23(18-16-20)30(28,29)25(2)21-11-7-5-8-12-21/h5-18H,3-4,19H2,1-2H3
InChIKeyXDRFZCNQCUDPEV-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.96
Rot. Bonds8

About N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide

N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide (PubChem CID 8839615) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
PubChem CID8839615
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-3-4-19-26(22-13-9-6-10-14-22)24(27)20-15-17-23(18-16-20)30(28,29)25(2)21-11-7-5-8-12-21/h5-18H,3-4,19H2,1-2H3
InChIKeyXDRFZCNQCUDPEV-UHFFFAOYSA-N
XLogP4.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 78856047
4-bromo-N-butyl-N-phenylbenzamide
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N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
N-(1-aminopropan-2-yl)-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
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4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 41027125
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
4-[methyl(phenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
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N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide?
The IUPAC name of N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide (CID 8839615) is N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide?
The canonical SMILES for N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide is CCCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide?
The InChIKey is XDRFZCNQCUDPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-3-4-19-26(22-13-9-6-10-14-22)24(27)20-15-17-23(18-16-20)30(28,29)25(2)21-11-7-5-8-12-21/h5-18H,3-4,19H2,1-2H3.
What are the key properties of N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide?
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 8839615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).