2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide

C23H20Cl2N2O3S — CID 33305378

About 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide

2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide (PubChem CID 33305378) has the molecular formula C23H20Cl2N2O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide
• PubChem CID: 33305378
• Molecular Formula: C23H20Cl2N2O3S
• Molecular Weight: 475.40 g/mol
• Exact Mass: 474.06
• IUPAC Name: 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide
• SMILES: Cc1c(NC(=O)COc2cc(Cl)ccc2Cl)cccc1C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C23H20Cl2N2O3S/c1-14-17(23(29)27-9-7-21-15(12-27)8-10-31-21)3-2-4-19(14)26-22(28)13-30-20-11-16(24)5-6-18(20)25/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,26,28)
• InChIKey: DZWYDONROGMJBC-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.40
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide?

The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide (CID 33305378) is 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide.

What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide?

The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide is Cc1c(NC(=O)COc2cc(Cl)ccc2Cl)cccc1C(=O)N1CCc2sccc2C1.

What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide?

The InChIKey is DZWYDONROGMJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S/c1-14-17(23(29)27-9-7-21-15(12-27)8-10-31-21)3-2-4-19(14)26-22(28)13-30-20-11-16(24)5-6-18(20)25/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,26,28).

What are the key properties of 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide?

2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide has a molecular weight of 475.40 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dichlorophenoxy)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 33305378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).