2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide

C20H23ClN2O2S — CID 131903383

IUPAC2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C20H23ClN2O2S/c21-16-6-8-19(9-7-16)26-14-20(25)22-17-4-2-10-23(13-17)12-15-3-1-5-18(24)11-15/h1,3,5-9,11,17,24H,2,4,10,12-14H2,(H,22,25)
InChIKeyVPTSSVGNJYKXBV-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 131903383) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
PubChem CID131903383
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C20H23ClN2O2S/c21-16-6-8-19(9-7-16)26-14-20(25)22-17-4-2-10-23(13-17)12-15-3-1-5-18(24)11-15/h1,3,5-9,11,17,24H,2,4,10,12-14H2,(H,22,25)
InChIKeyVPTSSVGNJYKXBV-UHFFFAOYSA-N
XLogP3.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 125168981
(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 45225429
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125176454
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
CID 125178153
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 46684567
3-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 131934062
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8871168
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8934702

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide (CID 131903383) is 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide is O=C(CSc1ccc(Cl)cc1)NC1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is VPTSSVGNJYKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c21-16-6-8-19(9-7-16)26-14-20(25)22-17-4-2-10-23(13-17)12-15-3-1-5-18(24)11-15/h1,3,5-9,11,17,24H,2,4,10,12-14H2,(H,22,25).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 390.94 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 131903383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).