(5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide

C26H39NOS — CID 10949701

IUPAC(5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cccs1
InChIInChI=1S/C26H39NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)27-23-22-25-20-19-24-29-25/h6-7,9-10,12-13,15-16,19-20,24H,2-5,8,11,14,17-18,21-23H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKeyYYJVDMAYLZCQID-DOFZRALJSA-N
MW413.67 g/mol
LogP7.55
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide (PubChem CID 10949701) has the molecular formula C26H39NOS and a molecular weight of 413.67 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide
PubChem CID10949701
Molecular FormulaC26H39NOS
Molecular Weight413.67 g/mol
Exact Mass413.28
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cccs1
InChIInChI=1S/C26H39NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)27-23-22-25-20-19-24-29-25/h6-7,9-10,12-13,15-16,19-20,24H,2-5,8,11,14,17-18,21-23H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKeyYYJVDMAYLZCQID-DOFZRALJSA-N
XLogP7.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.67
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide (CID 10949701) is (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cccs1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is YYJVDMAYLZCQID-DOFZRALJSA-N. The full InChI is InChI=1S/C26H39NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)27-23-22-25-20-19-24-29-25/h6-7,9-10,12-13,15-16,19-20,24H,2-5,8,11,14,17-18,21-23H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 413.67 g/mol, XLogP of 7.55, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(2-thiophen-2-ylethyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10949701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).