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

C22H22N2O3S — CID 4801142

IUPACN-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-8-10-18(11-9-17)16-23-22(25)19-12-14-21(15-13-19)28(26,27)24(2)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeySLRJNRWAHHMJLC-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.75
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 4801142) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID4801142
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-8-10-18(11-9-17)16-23-22(25)19-12-14-21(15-13-19)28(26,27)24(2)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeySLRJNRWAHHMJLC-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylphenyl)methyl]-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-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012
N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2477773
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 41378820
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 87043414
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 48731204
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 4801142) is N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide is Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is SLRJNRWAHHMJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17-8-10-18(11-9-17)16-23-22(25)19-12-14-21(15-13-19)28(26,27)24(2)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4801142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).