2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide

C19H20FNO2S — CID 31504385

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C19H20FNO2S/c1-12(2)14-4-7-16(8-5-14)21-19(23)11-24-18-9-6-15(13(3)22)10-17(18)20/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyGTJNCKNLIIHZLP-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.88
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 31504385) 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-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID31504385
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C19H20FNO2S/c1-12(2)14-4-7-16(8-5-14)21-19(23)11-24-18-9-6-15(13(3)22)10-17(18)20/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyGTJNCKNLIIHZLP-UHFFFAOYSA-N
XLogP4.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 35830804
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363809
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34192175
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
CID 34184863
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 43000335
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
CID 55727295
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
CID 29330895
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751110
2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 43392397
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide (CID 31504385) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide is CC(=O)c1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GTJNCKNLIIHZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-12(2)14-4-7-16(8-5-14)21-19(23)11-24-18-9-6-15(13(3)22)10-17(18)20/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 4.88, 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 31504385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).