2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide

C17H20N2O3S — CID 9107157

IUPAC2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1C
InChIInChI=1S/C17H20N2O3S/c1-11-5-6-12(2)15(9-11)17(20)19-14-8-7-13(3)16(10-14)23(21,22)18-4/h5-10,18H,1-4H3,(H,19,20)
InChIKeyPZPSDMJAHKWDBG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.77
Rot. Bonds4

About 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide

2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide (PubChem CID 9107157) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
PubChem CID9107157
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1C
InChIInChI=1S/C17H20N2O3S/c1-11-5-6-12(2)15(9-11)17(20)19-14-8-7-13(3)16(10-14)23(21,22)18-4/h5-10,18H,1-4H3,(H,19,20)
InChIKeyPZPSDMJAHKWDBG-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852863
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 9107051

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide (CID 9107157) is 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide is CNS(=O)(=O)c1cc(NC(=O)c2cc(C)ccc2C)ccc1C.
What is the InChIKey of 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is PZPSDMJAHKWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-5-6-12(2)15(9-11)17(20)19-14-8-7-13(3)16(10-14)23(21,22)18-4/h5-10,18H,1-4H3,(H,19,20).
What are the key properties of 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9107157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).