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

C24H25NO5S2 — CID 95061772

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

(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 95061772) has the molecular formula C24H25NO5S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• PubChem CID: 95061772
• Molecular Formula: C24H25NO5S2
• Molecular Weight: 471.60 g/mol
• Exact Mass: 471.12
• IUPAC Name: (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
• SMILES: COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1OC(C)C
• InChI: InChI=1S/C24H25NO5S2/c1-14(2)30-20-11-16(7-10-19(20)29-4)18-12-22(26)25-23-21(13-31-24(18)23)32(27,28)17-8-5-15(3)6-9-17/h5-11,13-14,18H,12H2,1-4H3,(H,25,26)/t18-/m1/s1
• InChIKey: JONXVRLZJOHOHD-GOSISDBHSA-N
• XLogP: 5.16
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.60
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 95061772) is (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

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

The canonical SMILES for (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1OC(C)C.

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

The InChIKey is JONXVRLZJOHOHD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25NO5S2/c1-14(2)30-20-11-16(7-10-19(20)29-4)18-12-22(26)25-23-21(13-31-24(18)23)32(27,28)17-8-5-15(3)6-9-17/h5-11,13-14,18H,12H2,1-4H3,(H,25,26)/t18-/m1/s1.

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

(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 471.60 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 95061772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).