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

C26H36N2O3S — CID 46010494

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

2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide (PubChem CID 46010494) has the molecular formula C26H36N2O3S and a molecular weight of 456.65 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide
• PubChem CID: 46010494
• Molecular Formula: C26H36N2O3S
• Molecular Weight: 456.65 g/mol
• Exact Mass: 456.24
• IUPAC Name: 2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide
• SMILES: CC(C)C(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(C)C
• InChI: InChI=1S/C26H36N2O3S/c1-17(2)20-7-9-21(10-8-20)31-16-23-22-12-14-32-24(22)11-13-27(23)25(29)15-28(19(5)6)26(30)18(3)4/h7-10,12,14,17-19,23H,11,13,15-16H2,1-6H3
• InChIKey: WHSOLZQRGKFZMG-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.65
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide (CID 46010494) is 2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide.

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

The canonical SMILES for 2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide is CC(C)C(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(C)C.

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

The InChIKey is WHSOLZQRGKFZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3S/c1-17(2)20-7-9-21(10-8-20)31-16-23-22-12-14-32-24(22)11-13-27(23)25(29)15-28(19(5)6)26(30)18(3)4/h7-10,12,14,17-19,23H,11,13,15-16H2,1-6H3.

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

2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide has a molecular weight of 456.65 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 46010494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).