2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

C20H20N2O2S — CID 46302853

IUPAC2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCOc1cccc2c(C)cc(SCC(=O)Nc3cccc(C)c3)nc12
InChIInChI=1S/C20H20N2O2S/c1-13-6-4-7-15(10-13)21-18(23)12-25-19-11-14(2)16-8-5-9-17(24-3)20(16)22-19/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyVZIKSDJISOHVRT-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.59
Rot. Bonds5

About 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 46302853) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID46302853
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCOc1cccc2c(C)cc(SCC(=O)Nc3cccc(C)c3)nc12
InChIInChI=1S/C20H20N2O2S/c1-13-6-4-7-15(10-13)21-18(23)12-25-19-11-14(2)16-8-5-9-17(24-3)20(16)22-19/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyVZIKSDJISOHVRT-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302834
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302871
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 46302888
N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825
N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 46302890
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302903
8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline
CID 46302811
1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
CID 46302921
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 7363718

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 46302853) is 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is COc1cccc2c(C)cc(SCC(=O)Nc3cccc(C)c3)nc12.
What is the InChIKey of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is VZIKSDJISOHVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-6-4-7-15(10-13)21-18(23)12-25-19-11-14(2)16-8-5-9-17(24-3)20(16)22-19/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 46302853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).