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

C18H18FNO3S — CID 51146548

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCOc2ccccc2)c(F)c1
InChIInChI=1S/C18H18FNO3S/c1-13(21)14-7-8-17(16(19)11-14)24-12-18(22)20-9-10-23-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyZLZFHOYLSWCMAI-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.32
Rot. Bonds8

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

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide (PubChem CID 51146548) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
PubChem CID51146548
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCOc2ccccc2)c(F)c1
InChIInChI=1S/C18H18FNO3S/c1-13(21)14-7-8-17(16(19)11-14)24-12-18(22)20-9-10-23-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyZLZFHOYLSWCMAI-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 51164073
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 31482762
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 35612850
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51142957
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 31504901
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 55713467
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-fluoro-4-methylbenzoate
CID 9386992
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
CID 29330895

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide (CID 51146548) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide is CC(=O)c1ccc(SCC(=O)NCCOc2ccccc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The InChIKey is ZLZFHOYLSWCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-13(21)14-7-8-17(16(19)11-14)24-12-18(22)20-9-10-23-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide has a molecular weight of 347.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 51146548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).