2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C13H11F3N2OS — CID 35990470

IUPAC2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc2ccccc2n1)NCC(F)(F)F
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)8-17-11(19)7-20-12-6-5-9-3-1-2-4-10(9)18-12/h1-6H,7-8H2,(H,17,19)
InChIKeyHMHQYNUSGVIELC-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.01
Rot. Bonds4

About 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 35990470) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID35990470
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc2ccccc2n1)NCC(F)(F)F
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)8-17-11(19)7-20-12-6-5-9-3-1-2-4-10(9)18-12/h1-6H,7-8H2,(H,17,19)
InChIKeyHMHQYNUSGVIELC-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755233
2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278675
2-quinolin-2-ylsulfanylacetamide
CID 2056006
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 2463036
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 7754845
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43249189
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 7835808
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide
CID 23738300

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 35990470) is 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1ccc2ccccc2n1)NCC(F)(F)F.
What is the InChIKey of 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HMHQYNUSGVIELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)8-17-11(19)7-20-12-6-5-9-3-1-2-4-10(9)18-12/h1-6H,7-8H2,(H,17,19).
What are the key properties of 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 35990470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).