2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide

C17H16FNO2S — CID 35432170

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
SMILESCC(=O)c1ccc(SCC(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C17H16FNO2S/c1-12(20)14-7-8-16(15(18)9-14)22-11-17(21)19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyASAJWKQVQQLZAQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide (PubChem CID 35432170) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
PubChem CID35432170
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
SMILESCC(=O)c1ccc(SCC(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C17H16FNO2S/c1-12(20)14-7-8-16(15(18)9-14)22-11-17(21)19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyASAJWKQVQQLZAQ-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.44
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-benzylacetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide (CID 35432170) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide is CC(=O)c1ccc(SCC(=O)NCc2ccccc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide?
The InChIKey is ASAJWKQVQQLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-12(20)14-7-8-16(15(18)9-14)22-11-17(21)19-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide has a molecular weight of 317.39 g/mol, XLogP of 3.44, 6 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-benzylacetamide is sourced from PubChem (CID 35432170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).