2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide

C17H25FN2OS — CID 51164309

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CSc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C17H25FN2OS/c1-17(2,20-10-4-3-5-11-20)13-19-16(21)12-22-15-8-6-14(18)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyVWTIIGWSHLLWBD-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide (PubChem CID 51164309) has the molecular formula C17H25FN2OS and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
PubChem CID51164309
Molecular FormulaC17H25FN2OS
Molecular Weight324.46 g/mol
Exact Mass324.17
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CSc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C17H25FN2OS/c1-17(2,20-10-4-3-5-11-20)13-19-16(21)12-22-15-8-6-14(18)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyVWTIIGWSHLLWBD-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110312935
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
CID 60519343
5-(4-fluorophenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)furan-2-carboxamide
CID 55378466
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781980
N-(2-methyl-2-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546273
4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
CID 110622566
4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342
2-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyridin-2-ylpropanamide
CID 110303116
(2S)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61143830

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide (CID 51164309) is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide is CC(C)(CNC(=O)CSc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide?
The InChIKey is VWTIIGWSHLLWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2OS/c1-17(2,20-10-4-3-5-11-20)13-19-16(21)12-22-15-8-6-14(18)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide has a molecular weight of 324.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 51164309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).