N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide

C21H21N3O3S — CID 35994898

IUPACN-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-4-2-3-5-17(16)10-15-23-21(25)18-6-8-20(9-7-18)28(26,27)24-19-11-13-22-14-12-19/h2-9,11-14H,10,15H2,1H3,(H,22,24)(H,23,25)
InChIKeySVTJNBAPGWWWQH-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.16
Rot. Bonds7

About N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide

N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide (PubChem CID 35994898) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide
PubChem CID35994898
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-4-2-3-5-17(16)10-15-23-21(25)18-6-8-20(9-7-18)28(26,27)24-19-11-13-22-14-12-19/h2-9,11-14H,10,15H2,1H3,(H,22,24)(H,23,25)
InChIKeySVTJNBAPGWWWQH-UHFFFAOYSA-N
XLogP3.16
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
N-[2-(2-methylphenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164026
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 60517834
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 36900818
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575
4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109060958
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
4-(acetamidomethyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 18195087

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide (CID 35994898) is N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide is Cc1ccccc1CCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The InChIKey is SVTJNBAPGWWWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-4-2-3-5-17(16)10-15-23-21(25)18-6-8-20(9-7-18)28(26,27)24-19-11-13-22-14-12-19/h2-9,11-14H,10,15H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 35994898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).