5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one

C18H17NO5S — CID 15461527

IUPAC5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one
SMILESCC1(C)OC(=O)C(Oc2cccnc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17NO5S/c1-18(2)15(12-6-8-14(9-7-12)25(3,21)22)16(17(20)24-18)23-13-5-4-10-19-11-13/h4-11H,1-3H3
InChIKeyOZPCEAIPYAKBRM-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.61
Rot. Bonds4

About 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one

5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one (PubChem CID 15461527) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one
PubChem CID15461527
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one
SMILESCC1(C)OC(=O)C(Oc2cccnc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17NO5S/c1-18(2)15(12-6-8-14(9-7-12)25(3,21)22)16(17(20)24-18)23-13-5-4-10-19-11-13/h4-11H,1-3H3
InChIKeyOZPCEAIPYAKBRM-UHFFFAOYSA-N
XLogP2.61
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one?
The IUPAC name of 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one (CID 15461527) is 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one.
What is the SMILES notation for 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one?
The canonical SMILES for 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one is CC1(C)OC(=O)C(Oc2cccnc2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one?
The InChIKey is OZPCEAIPYAKBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-18(2)15(12-6-8-14(9-7-12)25(3,21)22)16(17(20)24-18)23-13-5-4-10-19-11-13/h4-11H,1-3H3.
What are the key properties of 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one?
5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one has a molecular weight of 359.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pyridin-3-yloxyfuran-2-one is sourced from PubChem (CID 15461527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).