N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide

C20H19N3O4S — CID 58924237

IUPACN-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-17-10-8-15(9-11-17)13-22-20(24)18-6-2-3-7-19(18)28(25,26)23-16-5-4-12-21-14-16/h2-12,14,23H,13H2,1H3,(H,22,24)
InChIKeyXOKMABJSBHUADT-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.82
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide

N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide (PubChem CID 58924237) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
PubChem CID58924237
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-17-10-8-15(9-11-17)13-22-20(24)18-6-2-3-7-19(18)28(25,26)23-16-5-4-12-21-14-16/h2-12,14,23H,13H2,1H3,(H,22,24)
InChIKeyXOKMABJSBHUADT-UHFFFAOYSA-N
XLogP2.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924259
N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924303
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 58924134
N-[(3,4-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924121
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-[(3-chlorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924260
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
2-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 4670957
N-[(2,3-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924343
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
N-benzyl-N-ethyl-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924072
2-[(5-methoxy-3-pyridinyl)sulfamoyl]-N-(2-methylbutyl)benzamide
CID 58924307

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide (CID 58924237) is N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide is COc1ccc(CNC(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
The InChIKey is XOKMABJSBHUADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-17-10-8-15(9-11-17)13-22-20(24)18-6-2-3-7-19(18)28(25,26)23-16-5-4-12-21-14-16/h2-12,14,23H,13H2,1H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide?
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 58924237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).