N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

C17H23ClN2O2S — CID 3349548

IUPACN-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(C)c(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C17H23ClN2O2S/c1-12-6-7-14(10-15(12)18)23-11-16(19-13(2)21)17(22)20-8-4-3-5-9-20/h6-7,10,16H,3-5,8-9,11H2,1-2H3,(H,19,21)
InChIKeyOQEZCUMDICHNRG-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (PubChem CID 3349548) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
PubChem CID3349548
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(C)c(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C17H23ClN2O2S/c1-12-6-7-14(10-15(12)18)23-11-16(19-13(2)21)17(22)20-8-4-3-5-9-20/h6-7,10,16H,3-5,8-9,11H2,1-2H3,(H,19,21)
InChIKeyOQEZCUMDICHNRG-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 5180125
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 3558958
ethyl 1-[2-acetamido-3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate
CID 4213260
1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 3434871
N-[1-oxo-3-(4-phenylmethoxyphenyl)sulfanyl-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3923340
N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4286432
methyl 2-acetamido-3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 65442211
N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(3-nitrophenyl)sulfanyl-1-oxopropan-2-yl]acetamide
CID 3625209
1-[2-acetamido-3-(3-nitrophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 4543790
2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 3341920
N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 3980341

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (CID 3349548) is N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is CC(=O)NC(CSc1ccc(C)c(Cl)c1)C(=O)N1CCCCC1.
What is the InChIKey of N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The InChIKey is OQEZCUMDICHNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c1-12-6-7-14(10-15(12)18)23-11-16(19-13(2)21)17(22)20-8-4-3-5-9-20/h6-7,10,16H,3-5,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide has a molecular weight of 354.90 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 3349548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).