2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide

C22H24N4O3S — CID 22585081

IUPAC2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H24N4O3S/c1-14-8-15(2)21(16(3)9-14)26-20(27)12-29-18-10-17(25-11-19(18)28-4)13-30-22-23-6-5-7-24-22/h5-11H,12-13H2,1-4H3,(H,26,27)
InChIKeyYOUPOYHKXDXNHK-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.12
Rot. Bonds8

About 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 22585081) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID22585081
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H24N4O3S/c1-14-8-15(2)21(16(3)9-14)26-20(27)12-29-18-10-17(25-11-19(18)28-4)13-30-22-23-6-5-7-24-22/h5-11H,12-13H2,1-4H3,(H,26,27)
InChIKeyYOUPOYHKXDXNHK-UHFFFAOYSA-N
XLogP4.12
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.12
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-propan-2-ylacetamide
CID 22585089
2-[[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585093
N-(2,4-difluorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585127
N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584978
N-(3-fluorophenyl)-2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585220
N-(3,4-dimethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22585004
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
CID 22585199
N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584991
2-(2-methoxyphenoxy)-N-[6-(2,4,6-trimethylanilino)pyridazin-3-yl]acetamide
CID 113047016
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 7695867
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 22585081) is 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide is COc1cnc(CSc2ncccn2)cc1OCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YOUPOYHKXDXNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-8-15(2)21(16(3)9-14)26-20(27)12-29-18-10-17(25-11-19(18)28-4)13-30-22-23-6-5-7-24-22/h5-11H,12-13H2,1-4H3,(H,26,27).
What are the key properties of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 424.53 g/mol, XLogP of 4.12, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 22585081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).