3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide

C22H21NO4S — CID 158089819

IUPAC3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide
SMILESCOc1ccc(CS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C22H21NO4S/c1-16-6-10-19(11-7-16)23-22(24)18-4-3-5-21(14-18)28(25,26)15-17-8-12-20(27-2)13-9-17/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyFNYRSJYAJWKKOP-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.23
Rot. Bonds6

About 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide

3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide (PubChem CID 158089819) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide
PubChem CID158089819
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide
SMILESCOc1ccc(CS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C22H21NO4S/c1-16-6-10-19(11-7-16)23-22(24)18-4-3-5-21(14-18)28(25,26)15-17-8-12-20(27-2)13-9-17/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyFNYRSJYAJWKKOP-UHFFFAOYSA-N
XLogP4.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)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-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
[4-[(4-methoxybenzoyl)amino]phenyl]methanesulfonyl chloride
CID 141453398
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
CID 82179539
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
1-N-(4-methoxyphenyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109057390
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide (CID 158089819) is 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide is COc1ccc(CS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide?
The InChIKey is FNYRSJYAJWKKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-16-6-10-19(11-7-16)23-22(24)18-4-3-5-21(14-18)28(25,26)15-17-8-12-20(27-2)13-9-17/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide?
3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylsulfonyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 158089819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).