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

C21H21N3O3S — CID 86976183

IUPACN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccnc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-6-3-4-8-20(16)23-28(26,27)19-11-9-18(10-12-19)21(25)24(2)15-17-7-5-13-22-14-17/h3-14,23H,15H2,1-2H3
InChIKeyDMVYIDHGFFFMJO-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.46
Rot. Bonds6

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

N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 86976183) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID86976183
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccnc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-6-3-4-8-20(16)23-28(26,27)19-11-9-18(10-12-19)21(25)24(2)15-17-7-5-13-22-14-17/h3-14,23H,15H2,1-2H3
InChIKeyDMVYIDHGFFFMJO-UHFFFAOYSA-N
XLogP3.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide 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-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
3-(benzenesulfonamido)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86976169
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020437
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135971089
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
CID 60571008
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3559507
N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28570514
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 86976183) is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccnc2)cc1.
What is the InChIKey of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DMVYIDHGFFFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-6-3-4-8-20(16)23-28(26,27)19-11-9-18(10-12-19)21(25)24(2)15-17-7-5-13-22-14-17/h3-14,23H,15H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 86976183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).