3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide

C20H25N3O3S — CID 110355634

IUPAC3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1cccnc1
InChIInChI=1S/C20H25N3O3S/c24-20(22-15-17-4-3-13-21-14-17)12-9-16-7-10-19(11-8-16)27(25,26)23-18-5-1-2-6-18/h3-4,7-8,10-11,13-14,18,23H,1-2,5-6,9,12,15H2,(H,22,24)
InChIKeyHSFPGGNMZGIGLO-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.55
Rot. Bonds8

About 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide

3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110355634) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110355634
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1cccnc1
InChIInChI=1S/C20H25N3O3S/c24-20(22-15-17-4-3-13-21-14-17)12-9-16-7-10-19(11-8-16)27(25,26)23-18-5-1-2-6-18/h3-4,7-8,10-11,13-14,18,23H,1-2,5-6,9,12,15H2,(H,22,24)
InChIKeyHSFPGGNMZGIGLO-UHFFFAOYSA-N
XLogP2.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 3769450
N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1211157
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 126236174
1-[4-[[(1S,3S)-3-hydroxycyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71654930
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
1-[4-(piperidin-3-ylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140925924
4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 97115789
1-[4-[[3-(2-hydroxyethyl)cyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 140926083

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 110355634) is 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1cccnc1.
What is the InChIKey of 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HSFPGGNMZGIGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(22-15-17-4-3-13-21-14-17)12-9-16-7-10-19(11-8-16)27(25,26)23-18-5-1-2-6-18/h3-4,7-8,10-11,13-14,18,23H,1-2,5-6,9,12,15H2,(H,22,24).
What are the key properties of 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110355634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).