N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide

C17H25ClN2OS — CID 99969982

IUPACN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)NCCCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2OS/c1-20-10-7-14(8-11-20)13-17(21)19-9-2-12-22-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13H2,1H3,(H,19,21)
InChIKeyMSJXGYCJTAOTSL-UHFFFAOYSA-N
MW340.92 g/mol
LogP3.67
Rot. Bonds7

About N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide

N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99969982) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID99969982
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC NameN-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)NCCCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2OS/c1-20-10-7-14(8-11-20)13-17(21)19-9-2-12-22-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13H2,1H3,(H,19,21)
InChIKeyMSJXGYCJTAOTSL-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 50875423
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969993
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methylpiperazine
CID 2299558
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
4-(4-chlorophenyl)sulfanyl-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119644684
cis-(1R,3S)-3-amino-N-[3-(4-chlorophenyl)sulfanylpropyl]cyclohexane-1-carboxamide
CID 77090309
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide (CID 99969982) is N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)NCCCSc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is MSJXGYCJTAOTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS/c1-20-10-7-14(8-11-20)13-17(21)19-9-2-12-22-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13H2,1H3,(H,19,21).
What are the key properties of N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide?
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 340.92 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99969982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).