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

C23H22N2O5S — CID 94086184

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

2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide (PubChem CID 94086184) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
• PubChem CID: 94086184
• Molecular Formula: C23H22N2O5S
• Molecular Weight: 438.51 g/mol
• Exact Mass: 438.12
• IUPAC Name: 2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
• SMILES: COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(OCC(N)=O)c(OC)c2)cc1
• InChI: InChI=1S/C23H22N2O5S/c1-28-15-6-3-13(4-7-15)17-12-31-23-16(10-21(27)25-22(17)23)14-5-8-18(19(9-14)29-2)30-11-20(24)26/h3-9,12,16H,10-11H2,1-2H3,(H2,24,26)(H,25,27)/t16-/m0/s1
• InChIKey: CXHKTWFTYWPNMQ-INIZCTEOSA-N
• XLogP: 3.77
• TPSA: 99.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.51
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide (CID 94086184) is 2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-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-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide?

The canonical SMILES for 2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide is COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(OCC(N)=O)c(OC)c2)cc1.

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

The InChIKey is CXHKTWFTYWPNMQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-28-15-6-3-13(4-7-15)17-12-31-23-16(10-21(27)25-22(17)23)14-5-8-18(19(9-14)29-2)30-11-20(24)26/h3-9,12,16H,10-11H2,1-2H3,(H2,24,26)(H,25,27)/t16-/m0/s1.

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

2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide has a molecular weight of 438.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxy-4-[(7S)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide is sourced from PubChem (CID 94086184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).