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

C29H42N2O3S — CID 3909966

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

N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide (PubChem CID 3909966) has the molecular formula C29H42N2O3S and a molecular weight of 498.73 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide.

Molecular Properties

• Compound Name: N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide
• PubChem CID: 3909966
• Molecular Formula: C29H42N2O3S
• Molecular Weight: 498.73 g/mol
• Exact Mass: 498.29
• IUPAC Name: N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide
• SMILES: CCCCCCCCC(=O)N(CCCOCC)CC(=O)N1CCc2sccc2C1c1ccccc1
• InChI: InChI=1S/C29H42N2O3S/c1-3-5-6-7-8-12-16-27(32)30(19-13-21-34-4-2)23-28(33)31-20-17-26-25(18-22-35-26)29(31)24-14-10-9-11-15-24/h9-11,14-15,18,22,29H,3-8,12-13,16-17,19-21,23H2,1-2H3
• InChIKey: CYBBPELNYWNFGI-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.73
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide?

The IUPAC name of N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide (CID 3909966) is N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide.

What is the SMILES notation for N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide?

The canonical SMILES for N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide is CCCCCCCCC(=O)N(CCCOCC)CC(=O)N1CCc2sccc2C1c1ccccc1.

What is the InChIKey of N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide?

The InChIKey is CYBBPELNYWNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O3S/c1-3-5-6-7-8-12-16-27(32)30(19-13-21-34-4-2)23-28(33)31-20-17-26-25(18-22-35-26)29(31)24-14-10-9-11-15-24/h9-11,14-15,18,22,29H,3-8,12-13,16-17,19-21,23H2,1-2H3.

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

N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide has a molecular weight of 498.73 g/mol, XLogP of 6.23, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide is sourced from PubChem (CID 3909966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).