3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide

C15H20ClNOS — CID 5215887

IUPAC3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide
SMILESO=C(CCSCc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C15H20ClNOS/c16-13-7-5-12(6-8-13)11-19-10-9-15(18)17-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,17,18)
InChIKeyLJTUVWVEZULGOH-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.02
Rot. Bonds6

About 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide

3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide (PubChem CID 5215887) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide
PubChem CID5215887
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide
SMILESO=C(CCSCc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C15H20ClNOS/c16-13-7-5-12(6-8-13)11-19-10-9-15(18)17-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,17,18)
InChIKeyLJTUVWVEZULGOH-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-5-(4-Chlorophenyl)-4-methylthiazolidin-2-one
CID 13092656
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N-isopropyl-acetamide
CID 44398305
3-[(4-chlorophenyl)thio]-N-cyclopentylpropanamide
CID 875416
(E)-3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 5756571
2-(4-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2828158
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
2-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 2840721
(4R,5R)-5-(4-Chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
CID 13092659
2-{[(4-Chlorophenyl)methyl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
CID 875589
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
2-[(4-chlorophenyl)sulfanyl]-N-cyclopentylacetamide
CID 879862
1-{[(4-Chlorobenzyl)thio]acetyl}-4-methylpiperidine
CID 882512

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide (CID 5215887) is 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide is O=C(CCSCc1ccc(Cl)cc1)NC1CCCC1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide?
The InChIKey is LJTUVWVEZULGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-13-7-5-12(6-8-13)11-19-10-9-15(18)17-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,17,18).
What are the key properties of 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide?
3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide has a molecular weight of 297.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 5215887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).