2-methoxy-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-ylacetamide

C25H34N2O4S — CID 46010506

About 2-methoxy-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-ylacetamide

2-methoxy-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-ylacetamide (PubChem CID 46010506) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is 2-methoxy-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-ylacetamide.

Molecular Properties

• Compound Name: 2-methoxy-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-ylacetamide
• PubChem CID: 46010506
• Molecular Formula: C25H34N2O4S
• Molecular Weight: 458.62 g/mol
• Exact Mass: 458.22
• IUPAC Name: 2-methoxy-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-ylacetamide
• SMILES: COCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(C)C
• InChI: InChI=1S/C25H34N2O4S/c1-17(2)19-6-8-20(9-7-19)31-15-22-21-11-13-32-23(21)10-12-26(22)24(28)14-27(18(3)4)25(29)16-30-5/h6-9,11,13,17-18,22H,10,12,14-16H2,1-5H3
• InChIKey: YWEDMQDYGLLZNC-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.62
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-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-ylacetamide?

The IUPAC name of 2-methoxy-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-ylacetamide (CID 46010506) is 2-methoxy-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-ylacetamide.

What is the SMILES notation for 2-methoxy-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-ylacetamide?

The canonical SMILES for 2-methoxy-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-ylacetamide is COCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(C)C.

What is the InChIKey of 2-methoxy-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-ylacetamide?

The InChIKey is YWEDMQDYGLLZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-17(2)19-6-8-20(9-7-19)31-15-22-21-11-13-32-23(21)10-12-26(22)24(28)14-27(18(3)4)25(29)16-30-5/h6-9,11,13,17-18,22H,10,12,14-16H2,1-5H3.

What are the key properties of 2-methoxy-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-ylacetamide?

2-methoxy-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-ylacetamide has a molecular weight of 458.62 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-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-ylacetamide is sourced from PubChem (CID 46010506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).