2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide

C20H20N4O3S — CID 22585062

IUPAC2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N4O3S/c1-14-4-6-15(7-5-14)24-19(25)12-27-17-10-16(23-11-18(17)26-2)13-28-20-21-8-3-9-22-20/h3-11H,12-13H2,1-2H3,(H,24,25)
InChIKeyAMFIFRBDOXVEER-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.50
Rot. Bonds8

About 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide

2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide (PubChem CID 22585062) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide
PubChem CID22585062
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N4O3S/c1-14-4-6-15(7-5-14)24-19(25)12-27-17-10-16(23-11-18(17)26-2)13-28-20-21-8-3-9-22-20/h3-11H,12-13H2,1-2H3,(H,24,25)
InChIKeyAMFIFRBDOXVEER-UHFFFAOYSA-N
XLogP3.50
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 22585081
N-(4-acetamidophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 46362577
2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(4-methoxyphenyl)acetamide
CID 22584972
N-(3,4-dimethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22585004
N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584977
2-[[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585093
N-(3-fluorophenyl)-2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585220
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
N-(2,4-difluorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585127
N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584991
N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584978
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
CID 22585199

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide (CID 22585062) is 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide is COc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide?
The InChIKey is AMFIFRBDOXVEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14-4-6-15(7-5-14)24-19(25)12-27-17-10-16(23-11-18(17)26-2)13-28-20-21-8-3-9-22-20/h3-11H,12-13H2,1-2H3,(H,24,25).
What are the key properties of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide?
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 22585062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).