2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

C22H22N2O3S — CID 169370457

IUPAC2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)ccc2NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-8-11-18(12-9-15)28(26,27)24-21-14-16(2)10-13-20(21)23-22(25)19-7-5-4-6-17(19)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyOKPULRSOZANGKZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.66
Rot. Bonds5

About 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 169370457) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID169370457
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)ccc2NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-8-11-18(12-9-15)28(26,27)24-21-14-16(2)10-13-20(21)23-22(25)19-7-5-4-6-17(19)3/h4-14,24H,1-3H3,(H,23,25)
InChIKeyOKPULRSOZANGKZ-UHFFFAOYSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]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

2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
N-[4-[(2-ethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 22306495
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353986
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 9324132
N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062619

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (CID 169370457) is 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2NC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is OKPULRSOZANGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-8-11-18(12-9-15)28(26,27)24-21-14-16(2)10-13-20(21)23-22(25)19-7-5-4-6-17(19)3/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 169370457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).