2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide

C13H27NO4S — CID 101101893

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide
SMILESCOCCOCCOCC(=O)NCCCCCCS
InChIInChI=1S/C13H27NO4S/c1-16-7-8-17-9-10-18-12-13(15)14-6-4-2-3-5-11-19/h19H,2-12H2,1H3,(H,14,15)
InChIKeyHEZHAMIILZTIPF-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.27
Rot. Bonds14

About 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide

2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide (PubChem CID 101101893) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide
PubChem CID101101893
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide
SMILESCOCCOCCOCC(=O)NCCCCCCS
InChIInChI=1S/C13H27NO4S/c1-16-7-8-17-9-10-18-12-13(15)14-6-4-2-3-5-11-19/h19H,2-12H2,1H3,(H,14,15)
InChIKeyHEZHAMIILZTIPF-UHFFFAOYSA-N
XLogP1.27
TPSA56.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide (CID 101101893) is 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide is COCCOCCOCC(=O)NCCCCCCS.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide?
The InChIKey is HEZHAMIILZTIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-16-7-8-17-9-10-18-12-13(15)14-6-4-2-3-5-11-19/h19H,2-12H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide?
2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide has a molecular weight of 293.43 g/mol, XLogP of 1.27, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-(6-sulfanylhexyl)acetamide is sourced from PubChem (CID 101101893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).