2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide

C23H23ClN2O4S — CID 22585199

IUPAC2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COc1cc(CSc2ccc(Cl)cc2)ncc1OC
InChIInChI=1S/C23H23ClN2O4S/c1-3-29-20-7-5-4-6-19(20)26-23(27)14-30-21-12-17(25-13-22(21)28-2)15-31-18-10-8-16(24)9-11-18/h4-13H,3,14-15H2,1-2H3,(H,26,27)
InChIKeyPHHMKUKHXQNYJI-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.45
Rot. Bonds10

About 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide

2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide (PubChem CID 22585199) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
PubChem CID22585199
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COc1cc(CSc2ccc(Cl)cc2)ncc1OC
InChIInChI=1S/C23H23ClN2O4S/c1-3-29-20-7-5-4-6-19(20)26-23(27)14-30-21-12-17(25-13-22(21)28-2)15-31-18-10-8-16(24)9-11-18/h4-13H,3,14-15H2,1-2H3,(H,26,27)
InChIKeyPHHMKUKHXQNYJI-UHFFFAOYSA-N
XLogP5.45
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585177
N-(3-fluorophenyl)-2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585220
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
N-(2,4-difluorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585127
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395
2-[[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585093
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
2-[[5-methoxy-2-(pyrimidin-2-ylsulfanylmethyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)acetamide
CID 22585062
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
2-[(2-amino-3-pyridinyl)oxy]-N-(2-ethoxyphenyl)acetamide
CID 82055927

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide (CID 22585199) is 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)COc1cc(CSc2ccc(Cl)cc2)ncc1OC.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is PHHMKUKHXQNYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-3-29-20-7-5-4-6-19(20)26-23(27)14-30-21-12-17(25-13-22(21)28-2)15-31-18-10-8-16(24)9-11-18/h4-13H,3,14-15H2,1-2H3,(H,26,27).
What are the key properties of 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide?
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 22585199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).