2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide

C19H20F2N2OS — CID 119389227

IUPAC2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
SMILESO=C(NC1CCNCC1)C(Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H20F2N2OS/c20-14-6-7-17(16(21)12-14)25-18(13-4-2-1-3-5-13)19(24)23-15-8-10-22-11-9-15/h1-7,12,15,18,22H,8-11H2,(H,23,24)
InChIKeyPRLSZESIIHNQPZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.67
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide

2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide (PubChem CID 119389227) has the molecular formula C19H20F2N2OS and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
PubChem CID119389227
Molecular FormulaC19H20F2N2OS
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
SMILESO=C(NC1CCNCC1)C(Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H20F2N2OS/c20-14-6-7-17(16(21)12-14)25-18(13-4-2-1-3-5-13)19(24)23-15-8-10-22-11-9-15/h1-7,12,15,18,22H,8-11H2,(H,23,24)
InChIKeyPRLSZESIIHNQPZ-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetamide
CID 119458435
2-(3-chloro-4-fluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119387427
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone
CID 119402882
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463362
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119558315
(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887995
(2S)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887993
2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119451152
N-cyclopropyl-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17468752
2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535234
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide (CID 119389227) is 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide is O=C(NC1CCNCC1)C(Sc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide?
The InChIKey is PRLSZESIIHNQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2OS/c20-14-6-7-17(16(21)12-14)25-18(13-4-2-1-3-5-13)19(24)23-15-8-10-22-11-9-15/h1-7,12,15,18,22H,8-11H2,(H,23,24).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide?
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide has a molecular weight of 362.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119389227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).