4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

C21H21N3O3S — CID 3559507

IUPAC4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1C
InChIInChI=1S/C21H21N3O3S/c1-15-6-3-4-8-19(15)24-28(26,27)20-12-18(10-9-16(20)2)21(25)23-14-17-7-5-11-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyIIWVRBMQNKXMRB-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds6

About 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 3559507) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID3559507
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1C
InChIInChI=1S/C21H21N3O3S/c1-15-6-3-4-8-19(15)24-28(26,27)20-12-18(10-9-16(20)2)21(25)23-14-17-7-5-11-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25)
InChIKeyIIWVRBMQNKXMRB-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-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 6462073
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 92675796
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 109064543
[4-(pyridin-3-ylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate
CID 35511674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 3559507) is 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1C.
What is the InChIKey of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IIWVRBMQNKXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-6-3-4-8-19(15)24-28(26,27)20-12-18(10-9-16(20)2)21(25)23-14-17-7-5-11-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25).
What are the key properties of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)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-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 3559507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).