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

C18H19ClN2OS — CID 59097009

IUPAC2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/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)
InChIKeyFJWZSLZQPVBJLE-UHFFFAOYSA-N
MW346.88 g/mol
LogP5.09
Rot. Bonds5

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

2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide (PubChem CID 59097009) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide
PubChem CID59097009
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/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)
InChIKeyFJWZSLZQPVBJLE-UHFFFAOYSA-N
XLogP5.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.88
LogP ≤ 55.09
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-cyclopentylsulfanyl-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide
CID 59097036
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide
CID 23098793
N'-[1-(4-chlorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N'-cyclopentyl-N-pyridin-2-ylbutanediamide
CID 3871123
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 51193962
2-cyclopentylsulfanyl-2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 10309143
N'-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N'-cyclopentyl-N-pyridin-2-ylbutanediamide
CID 3205008
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
CID 94129459
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197375

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide (CID 59097009) is 2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide is O=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is FJWZSLZQPVBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/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-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide?
2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 346.88 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 59097009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).