N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide

C21H22N4O4S — CID 27652989

IUPACN-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1
InChIInChI=1S/C21H22N4O4S/c1-3-29-17-7-5-15(6-8-17)24-20(27)13-25-12-19(28-2)18(26)11-16(25)14-30-21-22-9-4-10-23-21/h4-12H,3,13-14H2,1-2H3,(H,24,27)
InChIKeyQAEFFNQJBWJOGI-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.98
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide

N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide (PubChem CID 27652989) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
PubChem CID27652989
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1
InChIInChI=1S/C21H22N4O4S/c1-3-29-17-7-5-15(6-8-17)24-20(27)13-25-12-19(28-2)18(26)11-16(25)14-30-21-22-9-4-10-23-21/h4-12H,3,13-14H2,1-2H3,(H,24,27)
InChIKeyQAEFFNQJBWJOGI-UHFFFAOYSA-N
XLogP2.98
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 18587666
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 18587704
2-[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 26844686
N-(4-ethylphenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844681
N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844664
N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27536618
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 22585214
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 27544042
N-(4-butoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2175554
2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 18587585
2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-pyridin-4-ylacetamide
CID 91640338

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide (CID 27652989) is N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide is CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide?
The InChIKey is QAEFFNQJBWJOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-3-29-17-7-5-15(6-8-17)24-20(27)13-25-12-19(28-2)18(26)11-16(25)14-30-21-22-9-4-10-23-21/h4-12H,3,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide?
N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 27652989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).