2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide

C24H34N4OS — CID 60501653

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide (PubChem CID 60501653) has the molecular formula C24H34N4OS and a molecular weight of 426.63 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide
• PubChem CID: 60501653
• Molecular Formula: C24H34N4OS
• Molecular Weight: 426.63 g/mol
• Exact Mass: 426.25
• IUPAC Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide
• SMILES: Cc1cccc(N2CCN(CCC(C)NC(=O)CN3CCc4sccc4C3)CC2)c1
• InChI: InChI=1S/C24H34N4OS/c1-19-4-3-5-22(16-19)28-13-11-26(12-14-28)9-6-20(2)25-24(29)18-27-10-7-23-21(17-27)8-15-30-23/h3-5,8,15-16,20H,6-7,9-14,17-18H2,1-2H3,(H,25,29)
• InChIKey: DAXUMMWMVPVZPN-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.63
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide?

The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide (CID 60501653) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide.

What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide?

The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide is Cc1cccc(N2CCN(CCC(C)NC(=O)CN3CCc4sccc4C3)CC2)c1.

What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide?

The InChIKey is DAXUMMWMVPVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4OS/c1-19-4-3-5-22(16-19)28-13-11-26(12-14-28)9-6-20(2)25-24(29)18-27-10-7-23-21(17-27)8-15-30-23/h3-5,8,15-16,20H,6-7,9-14,17-18H2,1-2H3,(H,25,29).

What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide?

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide has a molecular weight of 426.63 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide is sourced from PubChem (CID 60501653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).