2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

C21H22N2O2S — CID 1143745

IUPAC2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3)c(C)cc2c1
InChIInChI=1S/C21H22N2O2S/c1-4-25-18-8-9-19-16(12-18)11-15(3)21(23-19)26-13-20(24)22-17-7-5-6-14(2)10-17/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyLMWFPCTXOCQSRI-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.98
Rot. Bonds6

About 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 1143745) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID1143745
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3)c(C)cc2c1
InChIInChI=1S/C21H22N2O2S/c1-4-25-18-8-9-19-16(12-18)11-15(3)21(23-19)26-13-20(24)22-17-7-5-6-14(2)10-17/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyLMWFPCTXOCQSRI-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1143750
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3672751
N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1134598
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 995950
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1176220
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
methyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995960
4-(3,6-dimethylquinolin-2-yl)sulfanyl-3-oxo-N-phenylbutanamide
CID 1162938
N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609909
N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 46307980
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450389

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 1143745) is 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is CCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3)c(C)cc2c1.
What is the InChIKey of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is LMWFPCTXOCQSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-4-25-18-8-9-19-16(12-18)11-15(3)21(23-19)26-13-20(24)22-17-7-5-6-14(2)10-17/h5-12H,4,13H2,1-3H3,(H,22,24).
What are the key properties of 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1143745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).