3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide

C14H18ClNOS — CID 875416

IUPAC3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C14H18ClNOS/c15-11-5-7-13(8-6-11)18-10-9-14(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17)
InChIKeyBDVKPFQCAPFXRP-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.88
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide

3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide (PubChem CID 875416) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
PubChem CID875416
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C14H18ClNOS/c15-11-5-7-13(8-6-11)18-10-9-14(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17)
InChIKeyBDVKPFQCAPFXRP-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2536502
3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide
CID 3554947
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
2-[(4-chlorophenyl)sulfanyl]-N-cyclopentylacetamide
CID 879862
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 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide (CID 875416) is 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide is O=C(CCSc1ccc(Cl)cc1)NC1CCCC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
The InChIKey is BDVKPFQCAPFXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c15-11-5-7-13(8-6-11)18-10-9-14(17)16-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide?
3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide has a molecular weight of 283.82 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 875416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).