1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one

C20H24N2O5S — CID 121156132

IUPAC1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCCOc1ccccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C20H24N2O5S/c1-3-26-18-6-4-5-7-19(18)28(24,25)21-12-17(13-21)27-16-10-14(2)22(15-8-9-15)20(23)11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3
InChIKeySPINACWUSQKYFP-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.34
Rot. Bonds7

About 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one

1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 121156132) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID121156132
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCCOc1ccccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C20H24N2O5S/c1-3-26-18-6-4-5-7-19(18)28(24,25)21-12-17(13-21)27-16-10-14(2)22(15-8-9-15)20(23)11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3
InChIKeySPINACWUSQKYFP-UHFFFAOYSA-N
XLogP2.34
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile
CID 91814936
1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155831
1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156120
1-cyclopropyl-6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156144
4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628865
4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121156106
1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156181
4-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155867
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617489
N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide
CID 121155892
4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265559

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (CID 121156132) is 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is CCOc1ccccc1S(=O)(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1.
What is the InChIKey of 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is SPINACWUSQKYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-26-18-6-4-5-7-19(18)28(24,25)21-12-17(13-21)27-16-10-14(2)22(15-8-9-15)20(23)11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 404.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 121156132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).