N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide

C21H21N3O3S — CID 109064805

IUPACN-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H21N3O3S/c1-2-16-8-3-4-12-20(16)24-21(25)17-9-7-11-19(14-17)28(26,27)23-15-18-10-5-6-13-22-18/h3-14,23H,2,15H2,1H3,(H,24,25)
InChIKeyKWIOFAIOZOTOLI-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.37
Rot. Bonds7

About N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide

N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide (PubChem CID 109064805) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
PubChem CID109064805
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H21N3O3S/c1-2-16-8-3-4-12-20(16)24-21(25)17-9-7-11-19(14-17)28(26,27)23-15-18-10-5-6-13-22-18/h3-14,23H,2,15H2,1H3,(H,24,25)
InChIKeyKWIOFAIOZOTOLI-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 119438772
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide (CID 109064805) is N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide is CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
The InChIKey is KWIOFAIOZOTOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-16-8-3-4-12-20(16)24-21(25)17-9-7-11-19(14-17)28(26,27)23-15-18-10-5-6-13-22-18/h3-14,23H,2,15H2,1H3,(H,24,25).
What are the key properties of N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide?
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109064805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).