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

C28H32N2O3S2 — CID 42773724

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

N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-phenylsulfanylacetamide (PubChem CID 42773724) has the molecular formula C28H32N2O3S2 and a molecular weight of 508.71 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]-2-phenylsulfanylacetamide.

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]-2-phenylsulfanylacetamide
• PubChem CID: 42773724
• Molecular Formula: C28H32N2O3S2
• Molecular Weight: 508.71 g/mol
• Exact Mass: 508.19
• IUPAC Name: N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-phenylsulfanylacetamide
• SMILES: CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)CSc1ccccc1
• InChI: InChI=1S/C28H32N2O3S2/c1-2-33-18-9-16-29(27(32)21-35-23-12-7-4-8-13-23)20-26(31)30-17-14-25-24(15-19-34-25)28(30)22-10-5-3-6-11-22/h3-8,10-13,15,19,28H,2,9,14,16-18,20-21H2,1H3
• InChIKey: ZUWDKLYOVDGAMR-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 49.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.71
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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]-2-phenylsulfanylacetamide?

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]-2-phenylsulfanylacetamide (CID 42773724) is N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-phenylsulfanylacetamide.

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]-2-phenylsulfanylacetamide?

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]-2-phenylsulfanylacetamide is CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)CSc1ccccc1.

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]-2-phenylsulfanylacetamide?

The InChIKey is ZUWDKLYOVDGAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S2/c1-2-33-18-9-16-29(27(32)21-35-23-12-7-4-8-13-23)20-26(31)30-17-14-25-24(15-19-34-25)28(30)22-10-5-3-6-11-22/h3-8,10-13,15,19,28H,2,9,14,16-18,20-21H2,1H3.

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]-2-phenylsulfanylacetamide?

N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 508.71 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 5 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]-2-phenylsulfanylacetamide is sourced from PubChem (CID 42773724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).