4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide

C21H21N3O3S — CID 6462073

IUPAC4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-6-3-4-8-19(15)24-21(25)18-10-9-16(2)20(12-18)28(26,27)23-14-17-7-5-11-22-13-17/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeyKBPWISVKKWCEJZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds6

About 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide

4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide (PubChem CID 6462073) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
PubChem CID6462073
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-6-3-4-8-19(15)24-21(25)18-10-9-16(2)20(12-18)28(26,27)23-14-17-7-5-11-22-13-17/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeyKBPWISVKKWCEJZ-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3559507
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
4-methoxy-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2203728
3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422
3-[4-methyl-3-(pyridin-3-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
CID 940353
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
6-methyl-N-(2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329896
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide (CID 6462073) is 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide is Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
The InChIKey is KBPWISVKKWCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-6-3-4-8-19(15)24-21(25)18-10-9-16(2)20(12-18)28(26,27)23-14-17-7-5-11-22-13-17/h3-13,23H,14H2,1-2H3,(H,24,25).
What are the key properties of 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide?
4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 6462073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).