(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide

C23H39NOS — CID 137455017

IUPAC(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCS
InChIInChI=1S/C23H39NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-22H2,1H3,(H,24,25)/b7-6+,10-9+,13-12+,16-15+
InChIKeyLNVVWFSESOKAMB-CGRWFSSPSA-N
MW377.64 g/mol
LogP6.57
Rot. Bonds17

About (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide

(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide (PubChem CID 137455017) has the molecular formula C23H39NOS and a molecular weight of 377.64 g/mol. Its IUPAC name is (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
PubChem CID137455017
Molecular FormulaC23H39NOS
Molecular Weight377.64 g/mol
Exact Mass377.28
IUPAC Name(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCS
InChIInChI=1S/C23H39NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-22H2,1H3,(H,24,25)/b7-6+,10-9+,13-12+,16-15+
InChIKeyLNVVWFSESOKAMB-CGRWFSSPSA-N
XLogP6.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.64
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide with MolForge

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Related Compounds

4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
CID 1977
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459
N-(2-hydroxyethyl)icosa-5,8,11-trienamide
CID 4029
(5Z,8Z,11Z,14Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyldisulfanyl]ethyl]icosa-5,8,11,14-tetraenamide
CID 87921177
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
(Z)-N-butyloctadec-9-enamide
CID 6436496
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549

Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide (CID 137455017) is (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCS.
What is the InChIKey of (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is LNVVWFSESOKAMB-CGRWFSSPSA-N. The full InChI is InChI=1S/C23H39NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-22H2,1H3,(H,24,25)/b7-6+,10-9+,13-12+,16-15+.
What are the key properties of (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide?
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 377.64 g/mol, XLogP of 6.57, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 137455017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).