N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide

C17H20N2O3S — CID 41454864

IUPACN-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C
InChIInChI=1S/C17H20N2O3S/c1-11-6-8-15(9-13(11)3)18-17(20)14-7-5-12(2)16(10-14)19-23(4,21)22/h5-10,19H,1-4H3,(H,18,20)
InChIKeyDKIMJMRUQAGASU-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.24
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide

N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 41454864) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID41454864
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C
InChIInChI=1S/C17H20N2O3S/c1-11-6-8-15(9-13(11)3)18-17(20)14-7-5-12(2)16(10-14)19-23(4,21)22/h5-10,19H,1-4H3,(H,18,20)
InChIKeyDKIMJMRUQAGASU-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide 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-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062512
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
3-(methanesulfonamido)-4-methyl-N-(3-methyl-4-pyridinyl)benzamide
CID 56803470
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 31873271
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 56509582
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide (CID 41454864) is N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is DKIMJMRUQAGASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-6-8-15(9-13(11)3)18-17(20)14-7-5-12(2)16(10-14)19-23(4,21)22/h5-10,19H,1-4H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 41454864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).