2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide

C18H19FN2OS — CID 59097036

IUPAC2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2OS/c19-14-10-8-13(9-11-14)17(23-15-5-1-2-6-15)18(22)21-16-7-3-4-12-20-16/h3-4,7-12,15,17H,1-2,5-6H2,(H,20,21,22)
InChIKeyKCYSCIAYCLTBBC-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.58
Rot. Bonds5

About 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide

2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide (PubChem CID 59097036) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide
PubChem CID59097036
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2OS/c19-14-10-8-13(9-11-14)17(23-15-5-1-2-6-15)18(22)21-16-7-3-4-12-20-16/h3-4,7-12,15,17H,1-2,5-6H2,(H,20,21,22)
InChIKeyKCYSCIAYCLTBBC-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide
CID 59096998
2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide
CID 59097009
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373528
N'-cyclopentyl-N'-[(1R)-1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 40901613
2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 48909055
2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 10309143
N'-benzyl-N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-pyridin-2-ylpentanediamide
CID 3197364
(2R)-2-(4-fluorophenyl)-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 100749906
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
cyclohexyl N-pyridin-2-ylcarbamate
CID 127539206

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide (CID 59097036) is 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide is O=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide?
The InChIKey is KCYSCIAYCLTBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c19-14-10-8-13(9-11-14)17(23-15-5-1-2-6-15)18(22)21-16-7-3-4-12-20-16/h3-4,7-12,15,17H,1-2,5-6H2,(H,20,21,22).
What are the key properties of 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide?
2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide has a molecular weight of 330.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 59097036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).