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

C28H40N2O3S — CID 4561624

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

N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide (PubChem CID 4561624) has the molecular formula C28H40N2O3S and a molecular weight of 484.71 g/mol. Its IUPAC name is N-(3-methoxypropyl)-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-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide
• PubChem CID: 4561624
• Molecular Formula: C28H40N2O3S
• Molecular Weight: 484.71 g/mol
• Exact Mass: 484.28
• IUPAC Name: N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide
• SMILES: CCCCCCCCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2C1c1ccccc1
• InChI: InChI=1S/C28H40N2O3S/c1-3-4-5-6-7-11-15-26(31)29(18-12-20-33-2)22-27(32)30-19-16-25-24(17-21-34-25)28(30)23-13-9-8-10-14-23/h8-10,13-14,17,21,28H,3-7,11-12,15-16,18-20,22H2,1-2H3
• InChIKey: PZYWBGQEZFOMPT-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.71
LogP ≤ 5	5.84
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-methoxypropyl)-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-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide (CID 4561624) is N-(3-methoxypropyl)-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-methoxypropyl)-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-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide is CCCCCCCCC(=O)N(CCCOC)CC(=O)N1CCc2sccc2C1c1ccccc1.

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

The InChIKey is PZYWBGQEZFOMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O3S/c1-3-4-5-6-7-11-15-26(31)29(18-12-20-33-2)22-27(32)30-19-16-25-24(17-21-34-25)28(30)23-13-9-8-10-14-23/h8-10,13-14,17,21,28H,3-7,11-12,15-16,18-20,22H2,1-2H3.

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

N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide has a molecular weight of 484.71 g/mol, XLogP of 5.84, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide is sourced from PubChem (CID 4561624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).