4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

C25H25FN2O3S — CID 3665666

About 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide (PubChem CID 3665666) has the molecular formula C25H25FN2O3S and a molecular weight of 452.55 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
• PubChem CID: 3665666
• Molecular Formula: C25H25FN2O3S
• Molecular Weight: 452.55 g/mol
• Exact Mass: 452.16
• IUPAC Name: 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
• SMILES: COCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1ccc(F)cc1
• InChI: InChI=1S/C25H25FN2O3S/c1-31-15-14-27(25(30)19-7-9-20(26)10-8-19)17-23(29)28-13-11-22-21(12-16-32-22)24(28)18-5-3-2-4-6-18/h2-10,12,16,24H,11,13-15,17H2,1H3
• InChIKey: QLGDSPPSYSJQQB-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.55
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide?

The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide (CID 3665666) is 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide.

What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide?

The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide is COCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide?

The InChIKey is QLGDSPPSYSJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3S/c1-31-15-14-27(25(30)19-7-9-20(26)10-8-19)17-23(29)28-13-11-22-21(12-16-32-22)24(28)18-5-3-2-4-6-18/h2-10,12,16,24H,11,13-15,17H2,1H3.

What are the key properties of 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide?

4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide has a molecular weight of 452.55 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide is sourced from PubChem (CID 3665666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).