1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one

C20H24N2O4S — CID 121156120

IUPAC1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1
InChIInChI=1S/C20H24N2O4S/c1-13-4-5-14(2)19(8-13)27(24,25)21-11-18(12-21)26-17-9-15(3)22(16-6-7-16)20(23)10-17/h4-5,8-10,16,18H,6-7,11-12H2,1-3H3
InChIKeyFSVDFDOVCFNOSP-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.56
Rot. Bonds5

About 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one

1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 121156120) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID121156120
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1
InChIInChI=1S/C20H24N2O4S/c1-13-4-5-14(2)19(8-13)27(24,25)21-11-18(12-21)26-17-9-15(3)22(16-6-7-16)20(23)10-17/h4-5,8-10,16,18H,6-7,11-12H2,1-3H3
InChIKeyFSVDFDOVCFNOSP-UHFFFAOYSA-N
XLogP2.56
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156144
2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzonitrile
CID 91814936
1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156132
4-(1-butylsulfonylazetidin-3-yl)oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121156106
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265559
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
4-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155867
4-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155868
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121156082

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (CID 121156120) is 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1ccc(C)c(S(=O)(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1.
What is the InChIKey of 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is FSVDFDOVCFNOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-4-5-14(2)19(8-13)27(24,25)21-11-18(12-21)26-17-9-15(3)22(16-6-7-16)20(23)10-17/h4-5,8-10,16,18H,6-7,11-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 388.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 121156120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).