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

C25H24Cl2N2O3S — CID 3665669

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

2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide (PubChem CID 3665669) has the molecular formula C25H24Cl2N2O3S and a molecular weight of 503.45 g/mol. Its IUPAC name is 2,4-dichloro-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: 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
• PubChem CID: 3665669
• Molecular Formula: C25H24Cl2N2O3S
• Molecular Weight: 503.45 g/mol
• Exact Mass: 502.09
• IUPAC Name: 2,4-dichloro-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(Cl)cc1Cl
• InChI: InChI=1S/C25H24Cl2N2O3S/c1-32-13-12-28(25(31)19-8-7-18(26)15-21(19)27)16-23(30)29-11-9-22-20(10-14-33-22)24(29)17-5-3-2-4-6-17/h2-8,10,14-15,24H,9,11-13,16H2,1H3
• InChIKey: SPSAQABBALWBIZ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.45
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-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 2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide (CID 3665669) is 2,4-dichloro-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 2,4-dichloro-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 2,4-dichloro-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(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-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 SPSAQABBALWBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3S/c1-32-13-12-28(25(31)19-8-7-18(26)15-21(19)27)16-23(30)29-11-9-22-20(10-14-33-22)24(29)17-5-3-2-4-6-17/h2-8,10,14-15,24H,9,11-13,16H2,1H3.

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

2,4-dichloro-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 503.45 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-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 3665669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).