2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

C20H20N2OS — CID 39757967

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1
InChIInChI=1S/C20H20N2OS/c1-13-7-9-16(10-8-13)21-18(23)12-24-19-11-15(3)17-6-4-5-14(2)20(17)22-19/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyQBLSNLNBEDAEEY-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.89
Rot. Bonds4

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 39757967) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID39757967
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1
InChIInChI=1S/C20H20N2OS/c1-13-7-9-16(10-8-13)21-18(23)12-24-19-11-15(3)17-6-4-5-14(2)20(17)22-19/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyQBLSNLNBEDAEEY-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7743687
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 7363718
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
propan-2-yl 3-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 39757955
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 22695400
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40612518
3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 46302888
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169552
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 39757967) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is QBLSNLNBEDAEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-13-7-9-16(10-8-13)21-18(23)12-24-19-11-15(3)17-6-4-5-14(2)20(17)22-19/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 336.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 39757967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).