N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide

C20H26N2O3S — CID 109064605

IUPACN-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C20H26N2O3S/c1-4-5-13-22(3)20(23)18-7-6-8-19(14-18)26(24,25)21-15-17-11-9-16(2)10-12-17/h6-12,14,21H,4-5,13,15H2,1-3H3
InChIKeyVUZBTJMNNBGJMR-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.35
Rot. Bonds8

About N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide

N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109064605) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109064605
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C20H26N2O3S/c1-4-5-13-22(3)20(23)18-7-6-8-19(14-18)26(24,25)21-15-17-11-9-16(2)10-12-17/h6-12,14,21H,4-5,13,15H2,1-3H3
InChIKeyVUZBTJMNNBGJMR-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]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-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide
CID 46385991
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
CID 109064691
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide
CID 109065532
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide (CID 109064605) is N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is VUZBTJMNNBGJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-5-13-22(3)20(23)18-7-6-8-19(14-18)26(24,25)21-15-17-11-9-16(2)10-12-17/h6-12,14,21H,4-5,13,15H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide?
N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109064605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).