2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide

C13H16ClNOS — CID 879862

IUPAC2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C13H16ClNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyAYYZBKVHEDPSCQ-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.49
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide

2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide (PubChem CID 879862) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide
PubChem CID879862
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C13H16ClNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyAYYZBKVHEDPSCQ-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)thio]-N-cyclopentylpropanamide
CID 875416
N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2536502
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2567501
N-sec-Butyl-2-(4-chloro-phenylsulfanyl)-acetamide
CID 3139102
2-((4-Chlorophenyl)sulfanyl)-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)acetamide
CID 557620
1-{3-[(4-Chlorophenyl)thio]propanoyl}azepane
CID 881444
S-(4-Chlorophenyl) cyclohexylcarbamothioate
CID 306691
3-[(4-chlorophenyl)thio]-N-cyclohexylpropanamide
CID 875307
2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 875508
N-cyclopentyl-3-phenylthiopropanamide
CID 875577
3-(4-chlorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 2207240
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide (CID 879862) is 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide is O=C(CSc1ccc(Cl)cc1)NC1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide?
The InChIKey is AYYZBKVHEDPSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide?
2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide has a molecular weight of 269.80 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 879862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).