N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide

C31H57NO7S — CID 166154691

About N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide

N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide (PubChem CID 166154691) has the molecular formula C31H57NO7S and a molecular weight of 587.86 g/mol. Its IUPAC name is N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide
• PubChem CID: 166154691
• Molecular Formula: C31H57NO7S
• Molecular Weight: 587.86 g/mol
• Exact Mass: 587.39
• IUPAC Name: N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide
• SMILES: CCCCCCCCCCOCCOCCOCCOCCOCCOCCCCCCNC(=O)c1ccsc1
• InChI: InChI=1S/C31H57NO7S/c1-2-3-4-5-6-7-9-12-16-34-18-20-36-22-24-38-26-27-39-25-23-37-21-19-35-17-13-10-8-11-15-32-31(33)30-14-28-40-29-30/h14,28-29H,2-13,15-27H2,1H3,(H,32,33)
• InChIKey: VQUIEIYICXMISV-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 84.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 32
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.86
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide?

The IUPAC name of N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide (CID 166154691) is N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide.

What is the SMILES notation for N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide?

The canonical SMILES for N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide is CCCCCCCCCCOCCOCCOCCOCCOCCOCCCCCCNC(=O)c1ccsc1.

What is the InChIKey of N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide?

The InChIKey is VQUIEIYICXMISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57NO7S/c1-2-3-4-5-6-7-9-12-16-34-18-20-36-22-24-38-26-27-39-25-23-37-21-19-35-17-13-10-8-11-15-32-31(33)30-14-28-40-29-30/h14,28-29H,2-13,15-27H2,1H3,(H,32,33).

What are the key properties of N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide?

N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide has a molecular weight of 587.86 g/mol, XLogP of 6.28, 32 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide is sourced from PubChem (CID 166154691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).