2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide

C14H19ClN2OS — CID 119388300

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NC1CCNCC1
InChIInChI=1S/C14H19ClN2OS/c15-12-3-1-11(2-4-12)9-19-10-14(18)17-13-5-7-16-8-6-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeyCUGURMURVMXDDJ-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.44
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide (PubChem CID 119388300) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
PubChem CID119388300
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NC1CCNCC1
InChIInChI=1S/C14H19ClN2OS/c15-12-3-1-11(2-4-12)9-19-10-14(18)17-13-5-7-16-8-6-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeyCUGURMURVMXDDJ-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451069
1-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-3-[(3R)-pyrrolidin-3-yl]urea
CID 131940761
2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 134017051
N-cyclopentyl-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309803
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2374570
2-[(4-chlorophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462416
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide (CID 119388300) is 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide is O=C(CSCc1ccc(Cl)cc1)NC1CCNCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide?
The InChIKey is CUGURMURVMXDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c15-12-3-1-11(2-4-12)9-19-10-14(18)17-13-5-7-16-8-6-13/h1-4,13,16H,5-10H2,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide has a molecular weight of 298.84 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119388300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).