3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide

C21H21N3O3S — CID 110345177

IUPAC3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)NCc1cccnc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H21N3O3S/c25-21(20-10-4-9-19(14-20)18-7-2-1-3-8-18)23-12-13-28(26,27)24-16-17-6-5-11-22-15-17/h1-11,14-15,24H,12-13,16H2,(H,23,25)
InChIKeyDGAVXVNOZSSUKY-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.60
Rot. Bonds8

About 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide

3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide (PubChem CID 110345177) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
PubChem CID110345177
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)NCc1cccnc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H21N3O3S/c25-21(20-10-4-9-19(14-20)18-7-2-1-3-8-18)23-12-13-28(26,27)24-16-17-6-5-11-22-15-17/h1-11,14-15,24H,12-13,16H2,(H,23,25)
InChIKeyDGAVXVNOZSSUKY-UHFFFAOYSA-N
XLogP2.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]furan-2-carboxamide
CID 44995255
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-3-phenylbenzamide
CID 110345892
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 44995257
N-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 142724613
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 87003942
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]-3-phenylbenzamide
CID 110345109
3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide (CID 110345177) is 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide is O=C(NCCS(=O)(=O)NCc1cccnc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
The InChIKey is DGAVXVNOZSSUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(20-10-4-9-19(14-20)18-7-2-1-3-8-18)23-12-13-28(26,27)24-16-17-6-5-11-22-15-17/h1-11,14-15,24H,12-13,16H2,(H,23,25).
What are the key properties of 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide?
3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 110345177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).