2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide

C15H21ClN2OS — CID 36810837

IUPAC2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2OS/c1-2-18-9-7-12(8-10-18)17-15(19)11-20-14-6-4-3-5-13(14)16/h3-6,12H,2,7-11H2,1H3,(H,17,19)
InChIKeyPENQZWGDPNFBPJ-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.03
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 36810837) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID36810837
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2OS/c1-2-18-9-7-12(8-10-18)17-15(19)11-20-14-6-4-3-5-13(14)16/h3-6,12H,2,7-11H2,1H3,(H,17,19)
InChIKeyPENQZWGDPNFBPJ-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 35528661
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17173850
2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
N-(1-ethylpiperidin-4-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42493881
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 32827422
N-(1-ethylpiperidin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 128956684

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (CID 36810837) is 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CSc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is PENQZWGDPNFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-2-18-9-7-12(8-10-18)17-15(19)11-20-14-6-4-3-5-13(14)16/h3-6,12H,2,7-11H2,1H3,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 312.87 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 36810837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).