2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide

C18H15FN2O2S — CID 35830804

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(CC#N)cc2)c(F)c1
InChIInChI=1S/C18H15FN2O2S/c1-12(22)14-4-7-17(16(19)10-14)24-11-18(23)21-15-5-2-13(3-6-15)8-9-20/h2-7,10H,8,11H2,1H3,(H,21,23)
InChIKeySIKGYELFRDEFDQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 35830804) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID35830804
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(CC#N)cc2)c(F)c1
InChIInChI=1S/C18H15FN2O2S/c1-12(22)14-4-7-17(16(19)10-14)24-11-18(23)21-15-5-2-13(3-6-15)8-9-20/h2-7,10H,8,11H2,1H3,(H,21,23)
InChIKeySIKGYELFRDEFDQ-UHFFFAOYSA-N
XLogP3.83
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363809
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
CID 55727295
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
CID 34184863
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34192175
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 43000335
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 31504901
N-[4-(cyanomethyl)phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 17473184
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 7603938
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-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide (CID 35830804) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide is CC(=O)c1ccc(SCC(=O)Nc2ccc(CC#N)cc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is SIKGYELFRDEFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-12(22)14-4-7-17(16(19)10-14)24-11-18(23)21-15-5-2-13(3-6-15)8-9-20/h2-7,10H,8,11H2,1H3,(H,21,23).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.83, 6 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-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 35830804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).