(7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C23H23NO5S2 — CID 95061924

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

(7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 95061924) has the molecular formula C23H23NO5S2 and a molecular weight of 457.57 g/mol. Its IUPAC name is (7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• PubChem CID: 95061924
• Molecular Formula: C23H23NO5S2
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.10
• IUPAC Name: (7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• SMILES: CCCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(OC)cc3)csc21
• InChI: InChI=1S/C23H23NO5S2/c1-3-12-29-19-7-5-4-6-17(19)18-13-21(25)24-22-20(14-30-23(18)22)31(26,27)16-10-8-15(28-2)9-11-16/h4-11,14,18H,3,12-13H2,1-2H3,(H,24,25)/t18-/m1/s1
• InChIKey: QWOUMDDXBVPEFP-GOSISDBHSA-N
• XLogP: 4.85
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 95061924) is (7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

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

The canonical SMILES for (7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(OC)cc3)csc21.

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

The InChIKey is QWOUMDDXBVPEFP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23NO5S2/c1-3-12-29-19-7-5-4-6-17(19)18-13-21(25)24-22-20(14-30-23(18)22)31(26,27)16-10-8-15(28-2)9-11-16/h4-11,14,18H,3,12-13H2,1-2H3,(H,24,25)/t18-/m1/s1.

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

(7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 457.57 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 95061924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).