2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide

C18H22N2O4S — CID 125431727

IUPAC2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
SMILESCOCCn1ccc(=O)c(OCC(=O)Nc2cccc(SC)c2)c1C
InChIInChI=1S/C18H22N2O4S/c1-13-18(16(21)7-8-20(13)9-10-23-2)24-12-17(22)19-14-5-4-6-15(11-14)25-3/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)
InChIKeyXHBRMGTVWJFZEP-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.54
Rot. Bonds8

About 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide

2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 125431727) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID125431727
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
SMILESCOCCn1ccc(=O)c(OCC(=O)Nc2cccc(SC)c2)c1C
InChIInChI=1S/C18H22N2O4S/c1-13-18(16(21)7-8-20(13)9-10-23-2)24-12-17(22)19-14-5-4-6-15(11-14)25-3/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)
InChIKeyXHBRMGTVWJFZEP-UHFFFAOYSA-N
XLogP2.54
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
CID 121240049
2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 52897996
N-(3,5-dimethoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52898655
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206
N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572442
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
CID 121238918
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 39934079

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide (CID 125431727) is 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide is COCCn1ccc(=O)c(OCC(=O)Nc2cccc(SC)c2)c1C.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is XHBRMGTVWJFZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-18(16(21)7-8-20(13)9-10-23-2)24-12-17(22)19-14-5-4-6-15(11-14)25-3/h4-8,11H,9-10,12H2,1-3H3,(H,19,22).
What are the key properties of 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide?
2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 125431727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).