2-(3-benzylquinolin-2-yl)sulfanylacetamide

C18H16N2OS — CID 857980

IUPAC2-(3-benzylquinolin-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2cc1Cc1ccccc1
InChIInChI=1S/C18H16N2OS/c19-17(21)12-22-18-15(10-13-6-2-1-3-7-13)11-14-8-4-5-9-16(14)20-18/h1-9,11H,10,12H2,(H2,19,21)
InChIKeyBVNKWBJVBVWLNB-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.40
Rot. Bonds5

About 2-(3-benzylquinolin-2-yl)sulfanylacetamide

2-(3-benzylquinolin-2-yl)sulfanylacetamide (PubChem CID 857980) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(3-benzylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-benzylquinolin-2-yl)sulfanylacetamide
PubChem CID857980
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(3-benzylquinolin-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2cc1Cc1ccccc1
InChIInChI=1S/C18H16N2OS/c19-17(21)12-22-18-15(10-13-6-2-1-3-7-13)11-14-8-4-5-9-16(14)20-18/h1-9,11H,10,12H2,(H2,19,21)
InChIKeyBVNKWBJVBVWLNB-UHFFFAOYSA-N
XLogP3.40
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(3-benzylquinolin-2-yl)sulfanylacetamide (CID 857980) is 2-(3-benzylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(3-benzylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(3-benzylquinolin-2-yl)sulfanylacetamide is NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1.
What is the InChIKey of 2-(3-benzylquinolin-2-yl)sulfanylacetamide?
The InChIKey is BVNKWBJVBVWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c19-17(21)12-22-18-15(10-13-6-2-1-3-7-13)11-14-8-4-5-9-16(14)20-18/h1-9,11H,10,12H2,(H2,19,21).
What are the key properties of 2-(3-benzylquinolin-2-yl)sulfanylacetamide?
2-(3-benzylquinolin-2-yl)sulfanylacetamide has a molecular weight of 308.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 857980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).