2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C21H19F3N2OS — CID 3207972

IUPAC2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H19F3N2OS/c1-3-14-11-15-8-6-7-13(2)19(15)26-20(14)28-12-18(27)25-17-10-5-4-9-16(17)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,27)
InChIKeyQTXASVASRAWSQM-UHFFFAOYSA-N
MW404.46 g/mol
LogP5.86
Rot. Bonds5

About 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3207972) has the molecular formula C21H19F3N2OS and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3207972
Molecular FormulaC21H19F3N2OS
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H19F3N2OS/c1-3-14-11-15-8-6-7-13(2)19(15)26-20(14)28-12-18(27)25-17-10-5-4-9-16(17)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,27)
InChIKeyQTXASVASRAWSQM-UHFFFAOYSA-N
XLogP5.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetic acid
CID 855595
2-(3-ethyl-8-methylquinolin-2-yl)sulfanylacetate
CID 7383523
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 865131
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649
N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 3867369
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43811391
ethyl 2-[[2-(3,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]acetate
CID 3189717
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24630975
ethyl 6-methyl-2-oxo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidine-5-carboxylate
CID 7185989
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9458380
N-[2-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide
CID 60545390

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3207972) is 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QTXASVASRAWSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2OS/c1-3-14-11-15-8-6-7-13(2)19(15)26-20(14)28-12-18(27)25-17-10-5-4-9-16(17)21(22,23)24/h4-11H,3,12H2,1-2H3,(H,25,27).
What are the key properties of 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 404.46 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3207972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).