2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide

C16H20N4O3S — CID 22585089

IUPAC2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide
SMILESCOc1cnc(CSc2ncccn2)cc1OCC(=O)NC(C)C
InChIInChI=1S/C16H20N4O3S/c1-11(2)20-15(21)9-23-13-7-12(19-8-14(13)22-3)10-24-16-17-5-4-6-18-16/h4-8,11H,9-10H2,1-3H3,(H,20,21)
InChIKeyYSGWBFQRDCQCQJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.08
Rot. Bonds8

About 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide

2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide (PubChem CID 22585089) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide
PubChem CID22585089
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide
SMILESCOc1cnc(CSc2ncccn2)cc1OCC(=O)NC(C)C
InChIInChI=1S/C16H20N4O3S/c1-11(2)20-15(21)9-23-13-7-12(19-8-14(13)22-3)10-24-16-17-5-4-6-18-16/h4-8,11H,9-10H2,1-3H3,(H,20,21)
InChIKeyYSGWBFQRDCQCQJ-UHFFFAOYSA-N
XLogP2.08
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.08
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-(2,4-difluorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585127
N-(3-fluorophenyl)-2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585220
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
CID 22585199
2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585203
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-(trifluoromethyl)phenyl]acetamide
CID 22585177
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
N-(3-fluorophenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584991
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 43278767
N-(2,5-dimethylphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584978
N-(4-ethoxyphenyl)-2-[[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584977

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide (CID 22585089) is 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide is COc1cnc(CSc2ncccn2)cc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide?
The InChIKey is YSGWBFQRDCQCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11(2)20-15(21)9-23-13-7-12(19-8-14(13)22-3)10-24-16-17-5-4-6-18-16/h4-8,11H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide?
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-propan-2-ylacetamide has a molecular weight of 348.43 g/mol, XLogP of 2.08, 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-propan-2-ylacetamide is sourced from PubChem (CID 22585089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).