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

C24H23N3O3S — CID 33301260

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

3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide (PubChem CID 33301260) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide.

Molecular Properties

• Compound Name: 3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
• PubChem CID: 33301260
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: 3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide
• SMILES: CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c1
• InChI: InChI=1S/C24H23N3O3S/c1-15-20(24(30)27-11-9-22-18(14-27)10-12-31-22)7-4-8-21(15)26-23(29)17-5-3-6-19(13-17)25-16(2)28/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,25,28)(H,26,29)
• InChIKey: SGABHIAKFXCGIM-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide (CID 33301260) is 3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide.

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

The canonical SMILES for 3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c1.

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

The InChIKey is SGABHIAKFXCGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-20(24(30)27-11-9-22-18(14-27)10-12-31-22)7-4-8-21(15)26-23(29)17-5-3-6-19(13-17)25-16(2)28/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,25,28)(H,26,29).

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

3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 33301260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).