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

C19H20FNO2S — CID 51152326

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCC(C)c2ccccc2)c(F)c1
InChIInChI=1S/C19H20FNO2S/c1-13(15-6-4-3-5-7-15)11-21-19(23)12-24-18-9-8-16(14(2)22)10-17(18)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyQYKHQEKXDJDFAB-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.04
Rot. Bonds7

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

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide (PubChem CID 51152326) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide
PubChem CID51152326
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCC(C)c2ccccc2)c(F)c1
InChIInChI=1S/C19H20FNO2S/c1-13(15-6-4-3-5-7-15)11-21-19(23)12-24-18-9-8-16(14(2)22)10-17(18)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyQYKHQEKXDJDFAB-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.04
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-phenylpropyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide (CID 51152326) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide is CC(=O)c1ccc(SCC(=O)NCC(C)c2ccccc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
The InChIKey is QYKHQEKXDJDFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-13(15-6-4-3-5-7-15)11-21-19(23)12-24-18-9-8-16(14(2)22)10-17(18)20/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylpropyl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 4.04, 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-phenylpropyl)acetamide is sourced from PubChem (CID 51152326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).