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

C23H23NO4S2 — CID 95055254

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

(7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 95055254) has the molecular formula C23H23NO4S2 and a molecular weight of 441.57 g/mol. Its IUPAC name is (7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• PubChem CID: 95055254
• Molecular Formula: C23H23NO4S2
• Molecular Weight: 441.57 g/mol
• Exact Mass: 441.11
• IUPAC Name: (7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• SMILES: CCCOc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1
• InChI: InChI=1S/C23H23NO4S2/c1-3-11-28-17-6-4-5-16(12-17)19-13-21(25)24-22-20(14-29-23(19)22)30(26,27)18-9-7-15(2)8-10-18/h4-10,12,14,19H,3,11,13H2,1-2H3,(H,24,25)/t19-/m1/s1
• InChIKey: UBBWCBYPDFEEOT-LJQANCHMSA-N
• XLogP: 5.15
• TPSA: 72.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.57
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 95055254) is (7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

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

The canonical SMILES for (7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCCOc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1.

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

The InChIKey is UBBWCBYPDFEEOT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23NO4S2/c1-3-11-28-17-6-4-5-16(12-17)19-13-21(25)24-22-20(14-29-23(19)22)30(26,27)18-9-7-15(2)8-10-18/h4-10,12,14,19H,3,11,13H2,1-2H3,(H,24,25)/t19-/m1/s1.

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

(7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 441.57 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 95055254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).