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

C31H57NO7S — CID 166154691

IUPACN-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCCCCCNC(=O)c1ccsc1
InChIInChI=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)
InChIKeyVQUIEIYICXMISV-UHFFFAOYSA-N
MW587.86 g/mol
LogP6.28
Rot. Bonds32

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 NameN-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide
PubChem CID166154691
Molecular FormulaC31H57NO7S
Molecular Weight587.86 g/mol
Exact Mass587.39
IUPAC NameN-[6-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexyl]thiophene-3-carboxamide
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCCCCCNC(=O)c1ccsc1
InChIInChI=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)
InChIKeyVQUIEIYICXMISV-UHFFFAOYSA-N
XLogP6.28
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.86
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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).