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

C23H23NO6S2 — CID 53047353

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

3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 53047353) has the molecular formula C23H23NO6S2 and a molecular weight of 473.57 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

• Compound Name: 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• PubChem CID: 53047353
• Molecular Formula: C23H23NO6S2
• Molecular Weight: 473.57 g/mol
• Exact Mass: 473.10
• IUPAC Name: 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• SMILES: COc1cc(OC)c(C2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1OC
• InChI: InChI=1S/C23H23NO6S2/c1-13-5-7-14(8-6-13)32(26,27)20-12-31-23-16(10-21(25)24-22(20)23)15-9-18(29-3)19(30-4)11-17(15)28-2/h5-9,11-12,16H,10H2,1-4H3,(H,24,25)
• InChIKey: PELFTMZMUNJQBS-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 90.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.57
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The IUPAC name of 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 53047353) is 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The canonical SMILES for 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cc(OC)c(C2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1OC.

What is the InChIKey of 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

The InChIKey is PELFTMZMUNJQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6S2/c1-13-5-7-14(8-6-13)32(26,27)20-12-31-23-16(10-21(25)24-22(20)23)15-9-18(29-3)19(30-4)11-17(15)28-2/h5-9,11-12,16H,10H2,1-4H3,(H,24,25).

What are the key properties of 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?

3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 473.57 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 53047353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).