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

C14H19ClN2OS — CID 53279584

IUPAC2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2OS/c1-17-8-6-12(7-9-17)16-14(18)10-19-13-4-2-11(15)3-5-13/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyCVNYOSWXEUGFKA-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.64
Rot. Bonds4

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

2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 53279584) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID53279584
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2OS/c1-17-8-6-12(7-9-17)16-14(18)10-19-13-4-2-11(15)3-5-13/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyCVNYOSWXEUGFKA-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide
CID 53278983
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8934702
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55428451
2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31427469
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide (CID 53279584) is 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is CVNYOSWXEUGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-17-8-6-12(7-9-17)16-14(18)10-19-13-4-2-11(15)3-5-13/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 298.84 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 53279584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).