N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide

C17H19NO3S — CID 26909371

IUPACN-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1
InChIInChI=1S/C17H19NO3S/c1-11-5-6-13(3)16(9-11)18-17(19)15-10-14(22(4,20)21)8-7-12(15)2/h5-10H,1-4H3,(H,18,19)
InChIKeyXPSJMWOIQUPPEV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.27
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide

N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 26909371) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID26909371
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1
InChIInChI=1S/C17H19NO3S/c1-11-5-6-13(3)16(9-11)18-17(19)15-10-14(22(4,20)21)8-7-12(15)2/h5-10H,1-4H3,(H,18,19)
InChIKeyXPSJMWOIQUPPEV-UHFFFAOYSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 55677538
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
CID 35249899
N-[2,6-di(propan-2-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 26102414
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide
CID 145271067
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26880459
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide (CID 26909371) is N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(C)c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is XPSJMWOIQUPPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-11-5-6-13(3)16(9-11)18-17(19)15-10-14(22(4,20)21)8-7-12(15)2/h5-10H,1-4H3,(H,18,19).
What are the key properties of N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide?
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 317.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 26909371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).