5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one

C19H25NO4S — CID 123784594

IUPAC5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one
SMILESCCS(O)(O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)cc2C)c1
InChIInChI=1S/C19H25NO4S/c1-4-25(22,23)15-7-8-18(24-12-14-5-6-14)16(10-15)17-11-20(3)19(21)9-13(17)2/h7-11,14,22-23H,4-6,12H2,1-3H3
InChIKeyCZXKFOYFYCTRBT-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.28
Rot. Bonds6

About 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one (PubChem CID 123784594) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one
PubChem CID123784594
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one
SMILESCCS(O)(O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)cc2C)c1
InChIInChI=1S/C19H25NO4S/c1-4-25(22,23)15-7-8-18(24-12-14-5-6-14)16(10-15)17-11-20(3)19(21)9-13(17)2/h7-11,14,22-23H,4-6,12H2,1-3H3
InChIKeyCZXKFOYFYCTRBT-UHFFFAOYSA-N
XLogP4.28
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-1,4-dimethylpyridin-2-one
CID 134311111
8-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-6-methyl-2-(1-methylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-5-one
CID 123653842
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
5-[2-(cyclopropylmethylamino)-5-ethylsulfonylphenyl]-1,4-dimethylpyridin-2-one
CID 118021684
5-[2-(cyclopropylmethoxymethylsulfonyl)phenyl]-1,4-dimethylpyridin-2-one
CID 172821205
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
3-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 90416306
6-chloro-4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CID 118027910
4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 118028015
[4-(cyclopropylmethoxy)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]sulfamic acid
CID 118021606
5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
CID 90027888
7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one
CID 118028094

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one (CID 123784594) is 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one is CCS(O)(O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)cc2C)c1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one?
The InChIKey is CZXKFOYFYCTRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-4-25(22,23)15-7-8-18(24-12-14-5-6-14)16(10-15)17-11-20(3)19(21)9-13(17)2/h7-11,14,22-23H,4-6,12H2,1-3H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one has a molecular weight of 363.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 123784594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).