5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one

C19H23NO5S — CID 118021698

IUPAC5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(OC)c(=O)n(C)c2)c1
InChIInChI=1S/C19H23NO5S/c1-4-26(22,23)15-7-8-17(25-12-13-5-6-13)16(10-15)14-9-18(24-3)19(21)20(2)11-14/h7-11,13H,4-6,12H2,1-3H3
InChIKeyUSOZORPGSNYDBC-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.64
Rot. Bonds7

About 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one (PubChem CID 118021698) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one
PubChem CID118021698
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(OC)c(=O)n(C)c2)c1
InChIInChI=1S/C19H23NO5S/c1-4-26(22,23)15-7-8-17(25-12-13-5-6-13)16(10-15)14-9-18(24-3)19(21)20(2)11-14/h7-11,13H,4-6,12H2,1-3H3
InChIKeyUSOZORPGSNYDBC-UHFFFAOYSA-N
XLogP2.64
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one (CID 118021698) is 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one is CCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(OC)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one?
The InChIKey is USOZORPGSNYDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-4-26(22,23)15-7-8-17(25-12-13-5-6-13)16(10-15)14-9-18(24-3)19(21)20(2)11-14/h7-11,13H,4-6,12H2,1-3H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one has a molecular weight of 377.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-methoxy-1-methylpyridin-2-one is sourced from PubChem (CID 118021698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).