N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide

C17H13FN2OS — CID 600113

IUPACN-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)Nc1ccccc1F
InChIInChI=1S/C17H13FN2OS/c18-13-7-1-2-8-14(13)20-16(21)11-22-15-9-3-5-12-6-4-10-19-17(12)15/h1-10H,11H2,(H,20,21)
InChIKeyOWLWPTQCZIUZLV-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.10
Rot. Bonds4

About N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide

N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 600113) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID600113
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC NameN-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)Nc1ccccc1F
InChIInChI=1S/C17H13FN2OS/c18-13-7-1-2-8-14(13)20-16(21)11-22-15-9-3-5-12-6-4-10-19-17(12)15/h1-10H,11H2,(H,20,21)
InChIKeyOWLWPTQCZIUZLV-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide (CID 600113) is N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is OWLWPTQCZIUZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-13-7-1-2-8-14(13)20-16(21)11-22-15-9-3-5-12-6-4-10-19-17(12)15/h1-10H,11H2,(H,20,21).
What are the key properties of N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 312.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 600113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).