2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide

C22H20N2O6S2 — CID 95061569

About 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide

2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide (PubChem CID 95061569) has the molecular formula C22H20N2O6S2 and a molecular weight of 472.54 g/mol. Its IUPAC name is 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
• PubChem CID: 95061569
• Molecular Formula: C22H20N2O6S2
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.08
• IUPAC Name: 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
• SMILES: COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)ccc1OCC(N)=O
• InChI: InChI=1S/C22H20N2O6S2/c1-29-17-9-13(7-8-16(17)30-11-19(23)25)15-10-20(26)24-21-18(12-31-22(15)21)32(27,28)14-5-3-2-4-6-14/h2-9,12,15H,10-11H2,1H3,(H2,23,25)(H,24,26)/t15-/m1/s1
• InChIKey: PBVLIPCJRUACMB-OAHLLOKOSA-N
• XLogP: 2.93
• TPSA: 124.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?

The IUPAC name of 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide (CID 95061569) is 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide.

What is the SMILES notation for 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?

The canonical SMILES for 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide is COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)ccc1OCC(N)=O.

What is the InChIKey of 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?

The InChIKey is PBVLIPCJRUACMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20N2O6S2/c1-29-17-9-13(7-8-16(17)30-11-19(23)25)15-10-20(26)24-21-18(12-31-22(15)21)32(27,28)14-5-3-2-4-6-14/h2-9,12,15H,10-11H2,1H3,(H2,23,25)(H,24,26)/t15-/m1/s1.

What are the key properties of 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?

2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide has a molecular weight of 472.54 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 95061569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).