4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

C32H38N2O5S — CID 98423961

About 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (PubChem CID 98423961) has the molecular formula C32H38N2O5S and a molecular weight of 562.73 g/mol. Its IUPAC name is 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
• PubChem CID: 98423961
• Molecular Formula: C32H38N2O5S
• Molecular Weight: 562.73 g/mol
• Exact Mass: 562.25
• IUPAC Name: 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
• SMILES: COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C(C)C)cc2)C[C@@H]2CCCO2)cc1
• InChI: InChI=1S/C32H38N2O5S/c1-22(2)23-6-12-26(13-7-23)39-21-29-28-15-18-40-30(28)14-16-34(29)31(35)20-33(19-27-5-4-17-38-27)32(36)24-8-10-25(37-3)11-9-24/h6-13,15,18,22,27,29H,4-5,14,16-17,19-21H2,1-3H3/t27-,29-/m0/s1
• InChIKey: NIKYHWAZSYOCCZ-YTMVLYRLSA-N
• XLogP: 5.71
• TPSA: 68.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.73
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The IUPAC name of 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (CID 98423961) is 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The canonical SMILES for 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C(C)C)cc2)C[C@@H]2CCCO2)cc1.

What is the InChIKey of 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The InChIKey is NIKYHWAZSYOCCZ-YTMVLYRLSA-N. The full InChI is InChI=1S/C32H38N2O5S/c1-22(2)23-6-12-26(13-7-23)39-21-29-28-15-18-40-30(28)14-16-34(29)31(35)20-33(19-27-5-4-17-38-27)32(36)24-8-10-25(37-3)11-9-24/h6-13,15,18,22,27,29H,4-5,14,16-17,19-21H2,1-3H3/t27-,29-/m0/s1.

What are the key properties of 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide has a molecular weight of 562.73 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is sourced from PubChem (CID 98423961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).