2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide

C18H18FNO2S — CID 51148052

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCc2ccccc2)c(F)c1
InChIInChI=1S/C18H18FNO2S/c1-13(21)15-7-8-17(16(19)11-15)23-12-18(22)20-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyFBEIQDCHEVHJRW-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.48
Rot. Bonds7

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 51148052) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID51148052
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCc2ccccc2)c(F)c1
InChIInChI=1S/C18H18FNO2S/c1-13(21)15-7-8-17(16(19)11-15)23-12-18(22)20-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyFBEIQDCHEVHJRW-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide (CID 51148052) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide is CC(=O)c1ccc(SCC(=O)NCCc2ccccc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is FBEIQDCHEVHJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c1-13(21)15-7-8-17(16(19)11-15)23-12-18(22)20-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 331.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 51148052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).