N-[[(2R)-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]acetamide

C26H34N2O4S — CID 93167346

About N-[[(2R)-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]acetamide

N-[[(2R)-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]acetamide (PubChem CID 93167346) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[[(2R)-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]acetamide.

Molecular Properties

• Compound Name: N-[[(2R)-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]acetamide
• PubChem CID: 93167346
• Molecular Formula: C26H34N2O4S
• Molecular Weight: 470.64 g/mol
• Exact Mass: 470.22
• IUPAC Name: N-[[(2R)-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]acetamide
• SMILES: CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H]1CCCO1
• InChI: InChI=1S/C26H34N2O4S/c1-18(2)20-6-8-21(9-7-20)32-17-24-23-11-14-33-25(23)10-12-28(24)26(30)16-27(19(3)29)15-22-5-4-13-31-22/h6-9,11,14,18,22,24H,4-5,10,12-13,15-17H2,1-3H3/t22-,24+/m1/s1
• InChIKey: ANXWNTLYTWFPKA-VWNXMTODSA-N
• XLogP: 4.40
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.64
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-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]acetamide?

The IUPAC name of N-[[(2R)-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]acetamide (CID 93167346) is N-[[(2R)-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]acetamide.

What is the SMILES notation for N-[[(2R)-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]acetamide?

The canonical SMILES for N-[[(2R)-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]acetamide is CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H]1CCCO1.

What is the InChIKey of N-[[(2R)-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]acetamide?

The InChIKey is ANXWNTLYTWFPKA-VWNXMTODSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-18(2)20-6-8-21(9-7-20)32-17-24-23-11-14-33-25(23)10-12-28(24)26(30)16-27(19(3)29)15-22-5-4-13-31-22/h6-9,11,14,18,22,24H,4-5,10,12-13,15-17H2,1-3H3/t22-,24+/m1/s1.

What are the key properties of N-[[(2R)-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]acetamide?

N-[[(2R)-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]acetamide has a molecular weight of 470.64 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-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]acetamide is sourced from PubChem (CID 93167346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).