4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide

C21H21N3O3S — CID 51164053

IUPAC4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C21H21N3O3S/c1-24(19-8-3-2-4-9-19)28(26,27)20-12-10-17(11-13-20)21(25)23-16-14-18-7-5-6-15-22-18/h2-13,15H,14,16H2,1H3,(H,23,25)
InChIKeyLYJBPFFKLCUADH-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.88
Rot. Bonds7

About 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide

4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 51164053) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID51164053
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C21H21N3O3S/c1-24(19-8-3-2-4-9-19)28(26,27)20-12-10-17(11-13-20)21(25)23-16-14-18-7-5-6-15-22-18/h2-13,15H,14,16H2,1H3,(H,23,25)
InChIKeyLYJBPFFKLCUADH-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919272
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
4-[methyl(phenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46564955
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 48731204

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 51164053) is 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is LYJBPFFKLCUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-24(19-8-3-2-4-9-19)28(26,27)20-12-10-17(11-13-20)21(25)23-16-14-18-7-5-6-15-22-18/h2-13,15H,14,16H2,1H3,(H,23,25).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide?
4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 51164053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).