N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide

C20H26N2O4S — CID 78856047

IUPACN-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-14-22(15-16-23)20(24)17-10-12-19(13-11-17)27(25,26)21(2)18-8-6-5-7-9-18/h5-13,23H,3-4,14-16H2,1-2H3
InChIKeyWVXWHMARHSJFHL-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.75
Rot. Bonds9

About N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 78856047) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID78856047
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-4-14-22(15-16-23)20(24)17-10-12-19(13-11-17)27(25,26)21(2)18-8-6-5-7-9-18/h5-13,23H,3-4,14-16H2,1-2H3
InChIKeyWVXWHMARHSJFHL-UHFFFAOYSA-N
XLogP2.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)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

N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615
N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855791
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
4-[methyl(phenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 78784352
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
N-(1-aminopropan-2-yl)-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 119583533
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 78856047) is N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide is CCCCN(CCO)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is WVXWHMARHSJFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-4-14-22(15-16-23)20(24)17-10-12-19(13-11-17)27(25,26)21(2)18-8-6-5-7-9-18/h5-13,23H,3-4,14-16H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 78856047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).