2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide

C20H23ClN2OS — CID 120599851

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
SMILESCC1CC(NC(=O)C(Sc2ccccc2Cl)c2ccccc2)CCN1
InChIInChI=1S/C20H23ClN2OS/c1-14-13-16(11-12-22-14)23-20(24)19(15-7-3-2-4-8-15)25-18-10-6-5-9-17(18)21/h2-10,14,16,19,22H,11-13H2,1H3,(H,23,24)
InChIKeyCFOJDMQDNWODQV-UHFFFAOYSA-N
MW374.94 g/mol
LogP4.43
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide

2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide (PubChem CID 120599851) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
PubChem CID120599851
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
SMILESCC1CC(NC(=O)C(Sc2ccccc2Cl)c2ccccc2)CCN1
InChIInChI=1S/C20H23ClN2OS/c1-14-13-16(11-12-22-14)23-20(24)19(15-7-3-2-4-8-15)25-18-10-6-5-9-17(18)21/h2-10,14,16,19,22H,11-13H2,1H3,(H,23,24)
InChIKeyCFOJDMQDNWODQV-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120597947
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119451152
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119562919
2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119387427
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618
N-(2-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120601037
5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599794

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide (CID 120599851) is 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide is CC1CC(NC(=O)C(Sc2ccccc2Cl)c2ccccc2)CCN1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide?
The InChIKey is CFOJDMQDNWODQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c1-14-13-16(11-12-22-14)23-20(24)19(15-7-3-2-4-8-15)25-18-10-6-5-9-17(18)21/h2-10,14,16,19,22H,11-13H2,1H3,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide has a molecular weight of 374.94 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide is sourced from PubChem (CID 120599851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).