4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide

C18H21N3O3S — CID 70717840

IUPAC4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1ccc(S(=O)(=O)NC2CCC2)cc1
InChIInChI=1S/C18H21N3O3S/c22-18(20-12-10-14-3-2-11-19-13-14)15-6-8-17(9-7-15)25(23,24)21-16-4-1-5-16/h2-3,6-9,11,13,16,21H,1,4-5,10,12H2,(H,20,22)
InChIKeyQPCBKZDXGRJPBZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.88
Rot. Bonds7

About 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide

4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 70717840) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID70717840
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1ccc(S(=O)(=O)NC2CCC2)cc1
InChIInChI=1S/C18H21N3O3S/c22-18(20-12-10-14-3-2-11-19-13-14)15-6-8-17(9-7-15)25(23,24)21-16-4-1-5-16/h2-3,6-9,11,13,16,21H,1,4-5,10,12H2,(H,20,22)
InChIKeyQPCBKZDXGRJPBZ-UHFFFAOYSA-N
XLogP1.88
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutylsulfamoyl)-N-(2-pyrazin-2-ylethyl)benzamide
CID 70785168
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
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4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 97115789
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
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N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110355634
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 3769450
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide (CID 70717840) is 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide is O=C(NCCc1cccnc1)c1ccc(S(=O)(=O)NC2CCC2)cc1.
What is the InChIKey of 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is QPCBKZDXGRJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(20-12-10-14-3-2-11-19-13-14)15-6-8-17(9-7-15)25(23,24)21-16-4-1-5-16/h2-3,6-9,11,13,16,21H,1,4-5,10,12H2,(H,20,22).
What are the key properties of 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 359.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 70717840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).