7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C20H15F2NO3S2 — CID 53032448

IUPAC7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1cccc(S(=O)(=O)c2csc3c2NC(=O)CC3c2ccc(F)cc2F)c1
InChIInChI=1S/C20H15F2NO3S2/c1-11-3-2-4-13(7-11)28(25,26)17-10-27-20-15(9-18(24)23-19(17)20)14-6-5-12(21)8-16(14)22/h2-8,10,15H,9H2,1H3,(H,23,24)
InChIKeyUVLAPLORKBRJFF-UHFFFAOYSA-N
MW419.47 g/mol
LogP4.64
Rot. Bonds3

About 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 53032448) has the molecular formula C20H15F2NO3S2 and a molecular weight of 419.47 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID53032448
Molecular FormulaC20H15F2NO3S2
Molecular Weight419.47 g/mol
Exact Mass419.05
IUPAC Name7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1cccc(S(=O)(=O)c2csc3c2NC(=O)CC3c2ccc(F)cc2F)c1
InChIInChI=1S/C20H15F2NO3S2/c1-11-3-2-4-13(7-11)28(25,26)17-10-27-20-15(9-18(24)23-19(17)20)14-6-5-12(21)8-16(14)22/h2-8,10,15H,9H2,1H3,(H,23,24)
InChIKeyUVLAPLORKBRJFF-UHFFFAOYSA-N
XLogP4.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-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 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 53032448) is 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)CC3c2ccc(F)cc2F)c1.
What is the InChIKey of 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is UVLAPLORKBRJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3S2/c1-11-3-2-4-13(7-11)28(25,26)17-10-27-20-15(9-18(24)23-19(17)20)14-6-5-12(21)8-16(14)22/h2-8,10,15H,9H2,1H3,(H,23,24).
What are the key properties of 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 419.47 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 53032448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).