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

C26H28N2O3S — CID 43078158

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

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 43078158) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide
• PubChem CID: 43078158
• Molecular Formula: C26H28N2O3S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.18
• IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide
• SMILES: Cc1cccc(OC(C)C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c1C
• InChI: InChI=1S/C26H28N2O3S/c1-16-7-5-10-23(17(16)2)31-19(4)25(29)27-22-9-6-8-21(18(22)3)26(30)28-13-11-24-20(15-28)12-14-32-24/h5-10,12,14,19H,11,13,15H2,1-4H3,(H,27,29)
• InChIKey: WJADKBVTENZURT-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide (CID 43078158) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide.

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

The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c1C.

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

The InChIKey is WJADKBVTENZURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-16-7-5-10-23(17(16)2)31-19(4)25(29)27-22-9-6-8-21(18(22)3)26(30)28-13-11-24-20(15-28)12-14-32-24/h5-10,12,14,19H,11,13,15H2,1-4H3,(H,27,29).

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

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 448.59 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 43078158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).