N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide

C18H15ClN2OS — CID 4297004

IUPACN-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C18H15ClN2OS/c1-12-7-8-15(14(19)10-12)21-17(22)11-23-16-6-2-4-13-5-3-9-20-18(13)16/h2-10H,11H2,1H3,(H,21,22)
InChIKeyFOVGTWCNQIEJKY-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.93
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide

N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 4297004) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID4297004
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C18H15ClN2OS/c1-12-7-8-15(14(19)10-12)21-17(22)11-23-16-6-2-4-13-5-3-9-20-18(13)16/h2-10H,11H2,1H3,(H,21,22)
InChIKeyFOVGTWCNQIEJKY-UHFFFAOYSA-N
XLogP4.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997
N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide
CID 3539327
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide
CID 23790592
N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025528
3-chloro-4-[[2-[2-(2-chloro-4-methylphenyl)phenyl]sulfanylacetyl]amino]benzoic acid
CID 5275171
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 43302066
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 4045804

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide (CID 4297004) is N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide is Cc1ccc(NC(=O)CSc2cccc3cccnc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is FOVGTWCNQIEJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-7-8-15(14(19)10-12)21-17(22)11-23-16-6-2-4-13-5-3-9-20-18(13)16/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 342.85 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 4297004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).