2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide

C21H24F2N2OS — CID 119558315

IUPAC2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(NCCC1CCCNC1)C(Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C21H24F2N2OS/c22-17-8-9-19(18(23)13-17)27-20(16-6-2-1-3-7-16)21(26)25-12-10-15-5-4-11-24-14-15/h1-3,6-9,13,15,20,24H,4-5,10-12,14H2,(H,25,26)
InChIKeyIJMAULHCAXGQDZ-UHFFFAOYSA-N
MW390.50 g/mol
LogP4.30
Rot. Bonds7

About 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide

2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide (PubChem CID 119558315) has the molecular formula C21H24F2N2OS and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
PubChem CID119558315
Molecular FormulaC21H24F2N2OS
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
SMILESO=C(NCCC1CCCNC1)C(Sc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C21H24F2N2OS/c22-17-8-9-19(18(23)13-17)27-20(16-6-2-1-3-7-16)21(26)25-12-10-15-5-4-11-24-14-15/h1-3,6-9,13,15,20,24H,4-5,10-12,14H2,(H,25,26)
InChIKeyIJMAULHCAXGQDZ-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463362
2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535234
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119557143
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887995
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555725
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetamide
CID 119458435

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide (CID 119558315) is 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide is O=C(NCCC1CCCNC1)C(Sc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide?
The InChIKey is IJMAULHCAXGQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2OS/c22-17-8-9-19(18(23)13-17)27-20(16-6-2-1-3-7-16)21(26)25-12-10-15-5-4-11-24-14-15/h1-3,6-9,13,15,20,24H,4-5,10-12,14H2,(H,25,26).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide?
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide has a molecular weight of 390.50 g/mol, XLogP of 4.30, 7 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-(2-piperidin-3-ylethyl)acetamide is sourced from PubChem (CID 119558315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).