2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide

C22H23N3O3S — CID 24625202

IUPAC2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3cccnc3)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-6-9-19(10-7-15)25-29(27,28)20-11-8-16(2)21(13-20)22(26)24-17(3)18-5-4-12-23-14-18/h4-14,17,25H,1-3H3,(H,24,26)
InChIKeyVPCOXMCIMOQRGR-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.99
Rot. Bonds6

About 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide

2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 24625202) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID24625202
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3cccnc3)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-6-9-19(10-7-15)25-29(27,28)20-11-8-16(2)21(13-20)22(26)24-17(3)18-5-4-12-23-14-18/h4-14,17,25H,1-3H3,(H,24,26)
InChIKeyVPCOXMCIMOQRGR-UHFFFAOYSA-N
XLogP3.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
N-[1-(3,4-difluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43010637
N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35152346
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657800
5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 43058083
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55501117
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide (CID 24625202) is 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)c3cccnc3)c2)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is VPCOXMCIMOQRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-6-9-19(10-7-15)25-29(27,28)20-11-8-16(2)21(13-20)22(26)24-17(3)18-5-4-12-23-14-18/h4-14,17,25H,1-3H3,(H,24,26).
What are the key properties of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide?
2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 24625202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).