N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide

C54H109NO11S — CID 101129520

IUPACN-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
SMILESCCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCS
InChIInChI=1S/C54H109NO11S/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-33-57-35-37-59-39-41-61-43-45-63-47-49-65-51-52-66-50-48-64-46-44-62-42-40-60-38-36-58-34-32-55-54(56)31-28-25-22-19-16-13-12-15-18-21-24-27-30-53-67/h67H,2-53H2,1H3,(H,55,56)
InChIKeyPWQLKLBAKXZNOI-UHFFFAOYSA-N
MW980.53 g/mol
LogP11.92
Rot. Bonds62

About N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide (PubChem CID 101129520) has the molecular formula C54H109NO11S and a molecular weight of 980.53 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
PubChem CID101129520
Molecular FormulaC54H109NO11S
Molecular Weight980.53 g/mol
Exact Mass979.77
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
SMILESCCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCS
InChIInChI=1S/C54H109NO11S/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-33-57-35-37-59-39-41-61-43-45-63-47-49-65-51-52-66-50-48-64-46-44-62-42-40-60-38-36-58-34-32-55-54(56)31-28-25-22-19-16-13-12-15-18-21-24-27-30-53-67/h67H,2-53H2,1H3,(H,55,56)
InChIKeyPWQLKLBAKXZNOI-UHFFFAOYSA-N
XLogP11.92
TPSA121.40 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds62
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500980.53
LogP ≤ 511.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
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N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
ethene;N-[2-[5-(2-sulfanylethoxy)pentoxy]ethyl]henicos-10-ynamide
CID 163381079
N-hexyl-8-sulfanyloctanamide
CID 101094845
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-pentyl-11-sulfanylundecanamide
CID 102272005
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide (CID 101129520) is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide is CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCS.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide?
The InChIKey is PWQLKLBAKXZNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H109NO11S/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-33-57-35-37-59-39-41-61-43-45-63-47-49-65-51-52-66-50-48-64-46-44-62-42-40-60-38-36-58-34-32-55-54(56)31-28-25-22-19-16-13-12-15-18-21-24-27-30-53-67/h67H,2-53H2,1H3,(H,55,56).
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide?
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide has a molecular weight of 980.53 g/mol, XLogP of 11.92, 62 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide is sourced from PubChem (CID 101129520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).