[ethyl(tetradecanoyl)amino] ethanesulfonate

C18H37NO4S — CID 57321291

IUPAC[ethyl(tetradecanoyl)amino] ethanesulfonate
SMILESCCCCCCCCCCCCCC(=O)N(CC)OS(=O)(=O)CC
InChIInChI=1S/C18H37NO4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18(20)19(5-2)23-24(21,22)6-3/h4-17H2,1-3H3
InChIKeyCIVJIFNOYZYZMJ-UHFFFAOYSA-N
MW363.56 g/mol
LogP4.82
Rot. Bonds16

About [ethyl(tetradecanoyl)amino] ethanesulfonate

[ethyl(tetradecanoyl)amino] ethanesulfonate (PubChem CID 57321291) has the molecular formula C18H37NO4S and a molecular weight of 363.56 g/mol. Its IUPAC name is [ethyl(tetradecanoyl)amino] ethanesulfonate.

Molecular Properties

Compound Name[ethyl(tetradecanoyl)amino] ethanesulfonate
PubChem CID57321291
Molecular FormulaC18H37NO4S
Molecular Weight363.56 g/mol
Exact Mass363.24
IUPAC Name[ethyl(tetradecanoyl)amino] ethanesulfonate
SMILESCCCCCCCCCCCCCC(=O)N(CC)OS(=O)(=O)CC
InChIInChI=1S/C18H37NO4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18(20)19(5-2)23-24(21,22)6-3/h4-17H2,1-3H3
InChIKeyCIVJIFNOYZYZMJ-UHFFFAOYSA-N
XLogP4.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-hexadecanoylhexadecanamide;methyl hydrogen sulfate
CID 173235379
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
sodium;N-ethyl-N-undecanoylundecanamide;hydride
CID 173159792
N-ethoxy-N-hexadecanoylhexadecanamide
CID 175352963
N-acetyl-N-methyltetradecanamide
CID 54508567
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N-hydroxy-N-methyloctadecanamide
CID 19818891
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
N,N-diethyl-4-hexoxybutanamide
CID 176838101

Frequently Asked Questions

What is the IUPAC name of [ethyl(tetradecanoyl)amino] ethanesulfonate?
The IUPAC name of [ethyl(tetradecanoyl)amino] ethanesulfonate (CID 57321291) is [ethyl(tetradecanoyl)amino] ethanesulfonate.
What is the SMILES notation for [ethyl(tetradecanoyl)amino] ethanesulfonate?
The canonical SMILES for [ethyl(tetradecanoyl)amino] ethanesulfonate is CCCCCCCCCCCCCC(=O)N(CC)OS(=O)(=O)CC.
What is the InChIKey of [ethyl(tetradecanoyl)amino] ethanesulfonate?
The InChIKey is CIVJIFNOYZYZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18(20)19(5-2)23-24(21,22)6-3/h4-17H2,1-3H3.
What are the key properties of [ethyl(tetradecanoyl)amino] ethanesulfonate?
[ethyl(tetradecanoyl)amino] ethanesulfonate has a molecular weight of 363.56 g/mol, XLogP of 4.82, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(tetradecanoyl)amino] ethanesulfonate is sourced from PubChem (CID 57321291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).