N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide

C15H20ClNOS — CID 100773197

IUPACN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCSCc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C15H20ClNOS/c16-14-7-3-4-12(10-14)11-19-9-8-17-15(18)13-5-1-2-6-13/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,17,18)
InChIKeyCGZZSDPESMQKBY-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.88
Rot. Bonds6

About N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide

N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide (PubChem CID 100773197) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
PubChem CID100773197
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC NameN-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCSCc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C15H20ClNOS/c16-14-7-3-4-12(10-14)11-19-9-8-17-15(18)13-5-1-2-6-13/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,17,18)
InChIKeyCGZZSDPESMQKBY-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

3-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
CID 70742198
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 72931407
1-[(2-chlorophenyl)methyl]-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 45012752
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189420
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100621291
(3R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802323
3-[(3-chlorophenyl)methylsulfanyl]-N-cyclooctylpropanamide
CID 4219380
N-(2-aminoethyl)-1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxamide
CID 119479747
1-[(4-chloro-2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 100685022
(3R)-1-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 99970102
2-(3-chlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 100650916
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]cyclopropanecarboxamide
CID 100610014

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide (CID 100773197) is N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide is O=C(NCCSCc1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
The InChIKey is CGZZSDPESMQKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-14-7-3-4-12(10-14)11-19-9-8-17-15(18)13-5-1-2-6-13/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,17,18).
What are the key properties of N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide?
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide has a molecular weight of 297.85 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 100773197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).