N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide

C21H25ClN2OS — CID 24842497

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N(CCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H25ClN2OS/c22-18-9-11-20(12-10-18)26-16-15-24(19-7-3-1-4-8-19)21(25)17-23-13-5-2-6-14-23/h1,3-4,7-12H,2,5-6,13-17H2
InChIKeyCKWXHTIZDIJIFS-UHFFFAOYSA-N
MW388.96 g/mol
LogP4.95
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide (PubChem CID 24842497) has the molecular formula C21H25ClN2OS and a molecular weight of 388.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide
PubChem CID24842497
Molecular FormulaC21H25ClN2OS
Molecular Weight388.96 g/mol
Exact Mass388.14
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N(CCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H25ClN2OS/c22-18-9-11-20(12-10-18)26-16-15-24(19-7-3-1-4-8-19)21(25)17-23-13-5-2-6-14-23/h1,3-4,7-12H,2,5-6,13-17H2
InChIKeyCKWXHTIZDIJIFS-UHFFFAOYSA-N
XLogP4.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.96
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chloracizine
CID 13113
AJ-292/14128010
CID 669834
1-(4-Phenylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 817623
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
CID 9909055
3-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2-methyl-thiazolidin-4-one
CID 10571019
3-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10831936
3-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-thiazolidin-4-one
CID 11794256
{4-[2-(4-Chloro-phenylsulfanyl)-phenyl]-2,5-dimethyl-piperazin-1-yl}-acetic acid
CID 44393005
Cambridge id 6788322
CID 783895
1-(4-Phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
CID 977226
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide (CID 24842497) is N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)N(CCSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide?
The InChIKey is CKWXHTIZDIJIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2OS/c22-18-9-11-20(12-10-18)26-16-15-24(19-7-3-1-4-8-19)21(25)17-23-13-5-2-6-14-23/h1,3-4,7-12H,2,5-6,13-17H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide has a molecular weight of 388.96 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-2-piperidin-1-ylacetamide is sourced from PubChem (CID 24842497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).