2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide

C19H20ClFN2OS — CID 119387427

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
SMILESO=C(NC1CCNCC1)C(Sc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H20ClFN2OS/c20-16-12-15(6-7-17(16)21)25-18(13-4-2-1-3-5-13)19(24)23-14-8-10-22-11-9-14/h1-7,12,14,18,22H,8-11H2,(H,23,24)
InChIKeyKOOAWUQPVYPHOA-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.18
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide

2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide (PubChem CID 119387427) has the molecular formula C19H20ClFN2OS and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
PubChem CID119387427
Molecular FormulaC19H20ClFN2OS
Molecular Weight378.90 g/mol
Exact Mass378.10
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
SMILESO=C(NC1CCNCC1)C(Sc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H20ClFN2OS/c20-16-12-15(6-7-17(16)21)25-18(13-4-2-1-3-5-13)19(24)23-14-8-10-22-11-9-14/h1-7,12,14,18,22H,8-11H2,(H,23,24)
InChIKeyKOOAWUQPVYPHOA-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenylacetamide;hydrochloride
CID 119476072
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227
(2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9038377
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642
2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
CID 120599851
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 119484677
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119451152
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23099768
(E)-4-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786180

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide (CID 119387427) is 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide is O=C(NC1CCNCC1)C(Sc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide?
The InChIKey is KOOAWUQPVYPHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2OS/c20-16-12-15(6-7-17(16)21)25-18(13-4-2-1-3-5-13)19(24)23-14-8-10-22-11-9-14/h1-7,12,14,18,22H,8-11H2,(H,23,24).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide has a molecular weight of 378.90 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119387427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).