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

C20H26N2O3S — CID 121240049

IUPAC2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2c(C)n(CCC(C)C)ccc2=O)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)8-10-22-11-9-18(23)20(15(22)3)25-13-19(24)21-16-6-5-7-17(12-16)26-4/h5-7,9,11-12,14H,8,10,13H2,1-4H3,(H,21,24)
InChIKeyUWHYUSDVANIHOX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.94
Rot. Bonds8

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

2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 121240049) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID121240049
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2c(C)n(CCC(C)C)ccc2=O)c1
InChIInChI=1S/C20H26N2O3S/c1-14(2)8-10-22-11-9-18(23)20(15(22)3)25-13-19(24)21-16-6-5-7-17(12-16)26-4/h5-7,9,11-12,14H,8,10,13H2,1-4H3,(H,21,24)
InChIKeyUWHYUSDVANIHOX-UHFFFAOYSA-N
XLogP3.94
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide
CID 125431727
N-(4-acetamidophenyl)-2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]acetamide
CID 121238918
2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 52897996
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-(3,5-dimethoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52898655
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 39934079
2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 2709986
N-(4-acetamidophenyl)-2-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxy]acetamide
CID 51043579
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide (CID 121240049) is 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)COc2c(C)n(CCC(C)C)ccc2=O)c1.
What is the InChIKey of 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is UWHYUSDVANIHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)8-10-22-11-9-18(23)20(15(22)3)25-13-19(24)21-16-6-5-7-17(12-16)26-4/h5-7,9,11-12,14H,8,10,13H2,1-4H3,(H,21,24).
What are the key properties of 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide?
2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(3-methylbutyl)-4-oxo-3-pyridinyl]oxy]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 121240049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).