N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide

C19H18N2OS — CID 1121409

IUPACN-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2cccc3cccnc23)c1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-14(2)16(11-13)21-18(22)12-23-17-7-3-5-15-6-4-10-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyJZCWAOBHJSNZSV-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.58
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide

N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 1121409) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID1121409
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2cccc3cccnc23)c1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-14(2)16(11-13)21-18(22)12-23-17-7-3-5-15-6-4-10-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyJZCWAOBHJSNZSV-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 4297004
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
2-(2-amino-4-methylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43302578
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-8-ylsulfanylacetamide
CID 23790592
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435758
N-(2-methoxy-4-nitrophenyl)-2-quinolin-8-ylsulfanylacetamide
CID 3539327
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43305969
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
CID 9061835

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide (CID 1121409) is N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide is Cc1ccc(C)c(NC(=O)CSc2cccc3cccnc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is JZCWAOBHJSNZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-8-9-14(2)16(11-13)21-18(22)12-23-17-7-3-5-15-6-4-10-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 322.43 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 1121409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).