5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one

C15H19NO5S — CID 123351635

IUPAC5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one
SMILESCCS(O)(O)c1ccc(OC)c(-c2cc(O)c(=O)n(C)c2)c1
InChIInChI=1S/C15H19NO5S/c1-4-22(19,20)11-5-6-14(21-3)12(8-11)10-7-13(17)15(18)16(2)9-10/h5-9,17,19-20H,4H2,1-3H3
InChIKeyHXFASWQBEIRAJH-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.90
Rot. Bonds4

About 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one

5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one (PubChem CID 123351635) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one
PubChem CID123351635
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Name5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one
SMILESCCS(O)(O)c1ccc(OC)c(-c2cc(O)c(=O)n(C)c2)c1
InChIInChI=1S/C15H19NO5S/c1-4-22(19,20)11-5-6-14(21-3)12(8-11)10-7-13(17)15(18)16(2)9-10/h5-9,17,19-20H,4H2,1-3H3
InChIKeyHXFASWQBEIRAJH-UHFFFAOYSA-N
XLogP2.90
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one?
The IUPAC name of 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one (CID 123351635) is 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one is CCS(O)(O)c1ccc(OC)c(-c2cc(O)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one?
The InChIKey is HXFASWQBEIRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-4-22(19,20)11-5-6-14(21-3)12(8-11)10-7-13(17)15(18)16(2)9-10/h5-9,17,19-20H,4H2,1-3H3.
What are the key properties of 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one?
5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one has a molecular weight of 325.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[ethyl(dihydroxy)-λ4-sulfanyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 123351635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).