N-benzyl-2-quinolin-8-ylsulfanylacetamide

C18H16N2OS — CID 673909

IUPACN-benzyl-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)NCc1ccccc1
InChIInChI=1S/C18H16N2OS/c21-17(20-12-14-6-2-1-3-7-14)13-22-16-10-4-8-15-9-5-11-19-18(15)16/h1-11H,12-13H2,(H,20,21)
InChIKeyZKWPUPUWXISMAA-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.64
Rot. Bonds5

About N-benzyl-2-quinolin-8-ylsulfanylacetamide

N-benzyl-2-quinolin-8-ylsulfanylacetamide (PubChem CID 673909) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-benzyl-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-quinolin-8-ylsulfanylacetamide
PubChem CID673909
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-benzyl-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)NCc1ccccc1
InChIInChI=1S/C18H16N2OS/c21-17(20-12-14-6-2-1-3-7-14)13-22-16-10-4-8-15-9-5-11-19-18(15)16/h1-11H,12-13H2,(H,20,21)
InChIKeyZKWPUPUWXISMAA-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 1240020
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136863963
1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 2222844
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide
CID 8024111
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435358
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-benzyl-2-quinolin-8-ylsulfanylacetamide (CID 673909) is N-benzyl-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-benzyl-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-benzyl-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is ZKWPUPUWXISMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-17(20-12-14-6-2-1-3-7-14)13-22-16-10-4-8-15-9-5-11-19-18(15)16/h1-11H,12-13H2,(H,20,21).
What are the key properties of N-benzyl-2-quinolin-8-ylsulfanylacetamide?
N-benzyl-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 308.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 673909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).