N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide

C19H16F2N2OS — CID 42984842

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccc2ccccc2n1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2OS/c1-12(15-8-7-14(20)10-16(15)21)22-18(24)11-25-19-9-6-13-4-2-3-5-17(13)23-19/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyGQNYBRJGVBHDGW-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.48
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 42984842) has the molecular formula C19H16F2N2OS and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID42984842
Molecular FormulaC19H16F2N2OS
Molecular Weight358.41 g/mol
Exact Mass358.10
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccc2ccccc2n1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2OS/c1-12(15-8-7-14(20)10-16(15)21)22-18(24)11-25-19-9-6-13-4-2-3-5-17(13)23-19/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyGQNYBRJGVBHDGW-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037855
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 41037856
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 51214703
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329684
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 9429409
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8787049
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42903005
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 40734697
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide (CID 42984842) is N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide is CC(NC(=O)CSc1ccc2ccccc2n1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is GQNYBRJGVBHDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2OS/c1-12(15-8-7-14(20)10-16(15)21)22-18(24)11-25-19-9-6-13-4-2-3-5-17(13)23-19/h2-10,12H,11H2,1H3,(H,22,24).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 358.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 42984842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).