N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide

C15H31NO4S — CID 71381103

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
SMILESCOCCOCCOCCNC(=O)CCCCCCCS
InChIInChI=1S/C15H31NO4S/c1-18-10-11-20-13-12-19-9-8-16-15(17)7-5-3-2-4-6-14-21/h21H,2-14H2,1H3,(H,16,17)
InChIKeyPXEGTGCTMJGZMO-UHFFFAOYSA-N
MW321.48 g/mol
LogP2.05
Rot. Bonds16

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide (PubChem CID 71381103) has the molecular formula C15H31NO4S and a molecular weight of 321.48 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
PubChem CID71381103
Molecular FormulaC15H31NO4S
Molecular Weight321.48 g/mol
Exact Mass321.20
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
SMILESCOCCOCCOCCNC(=O)CCCCCCCS
InChIInChI=1S/C15H31NO4S/c1-18-10-11-20-13-12-19-9-8-16-15(17)7-5-3-2-4-6-14-21/h21H,2-14H2,1H3,(H,16,17)
InChIKeyPXEGTGCTMJGZMO-UHFFFAOYSA-N
XLogP2.05
TPSA56.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.05
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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Related Compounds

N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide
CID 101252962
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
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
N-[2-(2-methoxyethoxy)ethyl]-6,8-bis(sulfanyl)octanamide
CID 102100758
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methylsulfonylpentanamide
CID 177226030
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide (CID 71381103) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide is COCCOCCOCCNC(=O)CCCCCCCS.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide?
The InChIKey is PXEGTGCTMJGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4S/c1-18-10-11-20-13-12-19-9-8-16-15(17)7-5-3-2-4-6-14-21/h21H,2-14H2,1H3,(H,16,17).
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide has a molecular weight of 321.48 g/mol, XLogP of 2.05, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide is sourced from PubChem (CID 71381103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).