4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide

C17H21N3O3S — CID 36866769

IUPAC4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-13(2)20-24(22,23)16-7-5-15(6-8-16)17(21)19-11-9-14-4-3-10-18-12-14/h3-8,10,12-13,20H,9,11H2,1-2H3,(H,19,21)
InChIKeyQAUSZMGUAWWYPN-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.74
Rot. Bonds7

About 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide

4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 36866769) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID36866769
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-13(2)20-24(22,23)16-7-5-15(6-8-16)17(21)19-11-9-14-4-3-10-18-12-14/h3-8,10,12-13,20H,9,11H2,1-2H3,(H,19,21)
InChIKeyQAUSZMGUAWWYPN-UHFFFAOYSA-N
XLogP1.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 122564685
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
N-propan-2-yl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43454156
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 60556723
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide (CID 36866769) is 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)NCCc2cccnc2)cc1.
What is the InChIKey of 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is QAUSZMGUAWWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13(2)20-24(22,23)16-7-5-15(6-8-16)17(21)19-11-9-14-4-3-10-18-12-14/h3-8,10,12-13,20H,9,11H2,1-2H3,(H,19,21).
What are the key properties of 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 36866769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).