2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C22H24N2O2S — CID 1143752

IUPAC2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1
InChIInChI=1S/C22H24N2O2S/c1-13-8-14(2)22(15(3)9-13)24-21(25)12-27-20-10-16(4)23-19-7-6-17(26-5)11-18(19)20/h6-11H,12H2,1-5H3,(H,24,25)
InChIKeyJUDXWAZIVAGBFH-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.21
Rot. Bonds5

About 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 1143752) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID1143752
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1
InChIInChI=1S/C22H24N2O2S/c1-13-8-14(2)22(15(3)9-13)24-21(25)12-27-20-10-16(4)23-19-7-6-17(26-5)11-18(19)20/h6-11H,12H2,1-5H3,(H,24,25)
InChIKeyJUDXWAZIVAGBFH-UHFFFAOYSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-pentylphenyl)acetamide
CID 137653074
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
N-cyclopentyl-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]acetamide
CID 862401
3-[(6-Methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
CID 939671
Ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylbutanoate
CID 3168484
2-(2-Methyl-6-propoxy-3-propyl-quinolin-4-yl)-isothiourea
CID 16682433
(6-Methoxy-2-methyl-quinolin-4-yl)-p-tolyl-amine
CID 23724347
Acetic acid, 2-[(6-methoxy-4-methyl-2-quinolinyl)thio]-, hydrazide
CID 944480
N-[4-(pentyloxy)phenyl]-2-(quinolin-8-ylsulfanyl)acetamide
CID 1964370
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 24988481
2-Methoxy-7-methylacridin-9-amine
CID 49863666
6-Methoxy-4-methyl-2-methylsulfanylquinoline
CID 942030

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 1143752) is 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1.
What is the InChIKey of 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JUDXWAZIVAGBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-13-8-14(2)22(15(3)9-13)24-21(25)12-27-20-10-16(4)23-19-7-6-17(26-5)11-18(19)20/h6-11H,12H2,1-5H3,(H,24,25).
What are the key properties of 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 1143752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).