(4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide

C23H33NO3S — CID 46230686

IUPAC(4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H33NO3S/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-18-23(25)24-28(26,27)22-16-6-5-7-17-22/h5-7,11,13,15-17H,8-10,12,14,18H2,1-4H3,(H,24,25)/b20-13+,21-15+
InChIKeyADGUTYOKJQZCKI-RSKMIKRQSA-N
MW403.59 g/mol
LogP5.69
Rot. Bonds11

About (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide

(4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide (PubChem CID 46230686) has the molecular formula C23H33NO3S and a molecular weight of 403.59 g/mol. Its IUPAC name is (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide.

Molecular Properties

Compound Name(4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide
PubChem CID46230686
Molecular FormulaC23H33NO3S
Molecular Weight403.59 g/mol
Exact Mass403.22
IUPAC Name(4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H33NO3S/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-18-23(25)24-28(26,27)22-16-6-5-7-17-22/h5-7,11,13,15-17H,8-10,12,14,18H2,1-4H3,(H,24,25)/b20-13+,21-15+
InChIKeyADGUTYOKJQZCKI-RSKMIKRQSA-N
XLogP5.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.59
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide?
The IUPAC name of (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide (CID 46230686) is (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide.
What is the SMILES notation for (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide?
The canonical SMILES for (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide?
The InChIKey is ADGUTYOKJQZCKI-RSKMIKRQSA-N. The full InChI is InChI=1S/C23H33NO3S/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-18-23(25)24-28(26,27)22-16-6-5-7-17-22/h5-7,11,13,15-17H,8-10,12,14,18H2,1-4H3,(H,24,25)/b20-13+,21-15+.
What are the key properties of (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide?
(4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide has a molecular weight of 403.59 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-N-(benzenesulfonyl)-5,9,13-trimethyltetradeca-4,8,12-trienamide is sourced from PubChem (CID 46230686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).