2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide

C23H22N2O6S2 — CID 95061698

About 2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide

2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide (PubChem CID 95061698) has the molecular formula C23H22N2O6S2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
• PubChem CID: 95061698
• Molecular Formula: C23H22N2O6S2
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.09
• IUPAC Name: 2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
• SMILES: COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)ccc1OCC(N)=O
• InChI: InChI=1S/C23H22N2O6S2/c1-13-3-6-15(7-4-13)33(28,29)19-12-32-23-16(10-21(27)25-22(19)23)14-5-8-17(18(9-14)30-2)31-11-20(24)26/h3-9,12,16H,10-11H2,1-2H3,(H2,24,26)(H,25,27)/t16-/m1/s1
• InChIKey: NEILEJBECUDIHP-MRXNPFEDSA-N
• XLogP: 3.24
• TPSA: 124.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide (CID 95061698) is 2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide.

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

The canonical SMILES for 2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide is COc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)ccc1OCC(N)=O.

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

The InChIKey is NEILEJBECUDIHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22N2O6S2/c1-13-3-6-15(7-4-13)33(28,29)19-12-32-23-16(10-21(27)25-22(19)23)14-5-8-17(18(9-14)30-2)31-11-20(24)26/h3-9,12,16H,10-11H2,1-2H3,(H2,24,26)(H,25,27)/t16-/m1/s1.

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

2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide has a molecular weight of 486.57 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxy-4-[(7R)-3-(4-methylphenyl)sulfonyl-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide is sourced from PubChem (CID 95061698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).