N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide

C21H21N3O3S — CID 109064677

IUPACN-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C21H21N3O3S/c1-24(16-18-6-3-2-4-7-18)21(25)19-8-5-9-20(14-19)28(26,27)23-15-17-10-12-22-13-11-17/h2-14,23H,15-16H2,1H3
InChIKeyLAUVVYUXGSGNBM-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.83
Rot. Bonds7

About N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide

N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 109064677) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID109064677
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1
InChIInChI=1S/C21H21N3O3S/c1-24(16-18-6-3-2-4-7-18)21(25)19-8-5-9-20(14-19)28(26,27)23-15-17-10-12-22-13-11-17/h2-14,23H,15-16H2,1H3
InChIKeyLAUVVYUXGSGNBM-UHFFFAOYSA-N
XLogP2.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)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-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
1-[3-(benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231284
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
3-[2-(dimethylamino)ethylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109063983
3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide
CID 50914019
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
N-ethyl-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064866

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 109064677) is N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide is CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCc2ccncc2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is LAUVVYUXGSGNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-24(16-18-6-3-2-4-7-18)21(25)19-8-5-9-20(14-19)28(26,27)23-15-17-10-12-22-13-11-17/h2-14,23H,15-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide?
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109064677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).