(9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide

C19H30F3NO3S — CID 155170688

IUPAC(9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C/C/C=C/CCCCCCCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H30F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(24)23-27(25,26)19(20,21)22/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,23,24)/b4-3-,7-6+,10-9+
InChIKeyZPMBFJMAOKHTJA-YSFKBSJESA-N
MW409.51 g/mol
LogP5.54
Rot. Bonds14

About (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide

(9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide (PubChem CID 155170688) has the molecular formula C19H30F3NO3S and a molecular weight of 409.51 g/mol. Its IUPAC name is (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide
PubChem CID155170688
Molecular FormulaC19H30F3NO3S
Molecular Weight409.51 g/mol
Exact Mass409.19
IUPAC Name(9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C/C/C=C/CCCCCCCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H30F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(24)23-27(25,26)19(20,21)22/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,23,24)/b4-3-,7-6+,10-9+
InChIKeyZPMBFJMAOKHTJA-YSFKBSJESA-N
XLogP5.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide with MolForge

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Related Compounds

N-silyloctadeca-9,12,15-trienamide
CID 123430456
N-(trifluoromethylsulfonyl)nonadec-18-enamide
CID 154028090
CID 87067082
CID 87067082
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855
N-ethenyloctadeca-9,12,15-trienamide
CID 90956698
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236

Frequently Asked Questions

What is the IUPAC name of (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide?
The IUPAC name of (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide (CID 155170688) is (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide.
What is the SMILES notation for (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide?
The canonical SMILES for (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide is CC/C=C\C/C=C/C/C=C/CCCCCCCC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide?
The InChIKey is ZPMBFJMAOKHTJA-YSFKBSJESA-N. The full InChI is InChI=1S/C19H30F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(24)23-27(25,26)19(20,21)22/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,23,24)/b4-3-,7-6+,10-9+.
What are the key properties of (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide?
(9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide has a molecular weight of 409.51 g/mol, XLogP of 5.54, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,12E,15Z)-N-(trifluoromethylsulfonyl)octadeca-9,12,15-trienamide is sourced from PubChem (CID 155170688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).