2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide

C19H15FN2O2S — CID 29330895

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C19H15FN2O2S/c1-12(23)13-6-7-18(16(20)9-13)25-11-19(24)22-15-8-14-4-2-3-5-17(14)21-10-15/h2-10H,11H2,1H3,(H,22,24)
InChIKeyDRRJAFSMWHCLJK-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.31
Rot. Bonds5

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide (PubChem CID 29330895) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
PubChem CID29330895
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C19H15FN2O2S/c1-12(23)13-6-7-18(16(20)9-13)25-11-19(24)22-15-8-14-4-2-3-5-17(14)21-10-15/h2-10H,11H2,1H3,(H,22,24)
InChIKeyDRRJAFSMWHCLJK-UHFFFAOYSA-N
XLogP4.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334533
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
3-nitro-4-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfanylbenzamide
CID 32838680
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-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 55387670
N-quinolin-3-yl-2-thiophen-2-ylsulfanylacetamide
CID 23972923
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 35830804
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 51164073
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]acetamide
CID 55727295

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide (CID 29330895) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide is CC(=O)c1ccc(SCC(=O)Nc2cnc3ccccc3c2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide?
The InChIKey is DRRJAFSMWHCLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-12(23)13-6-7-18(16(20)9-13)25-11-19(24)22-15-8-14-4-2-3-5-17(14)21-10-15/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide has a molecular weight of 354.41 g/mol, XLogP of 4.31, 5 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-quinolin-3-ylacetamide is sourced from PubChem (CID 29330895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).