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

C25H37NOS — CID 10272277

IUPAC(5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccs1
InChIInChI=1S/C25H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(27)26-23-24-20-19-22-28-24/h6-7,9-10,12-13,15-16,19-20,22H,2-5,8,11,14,17-18,21,23H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-
InChIKeyCHQKWUIJHAGTDS-DOFZRALJSA-N
MW399.64 g/mol
LogP7.51
Rot. Bonds16

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

(5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide (PubChem CID 10272277) has the molecular formula C25H37NOS and a molecular weight of 399.64 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide
PubChem CID10272277
Molecular FormulaC25H37NOS
Molecular Weight399.64 g/mol
Exact Mass399.26
IUPAC Name(5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccs1
InChIInChI=1S/C25H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(27)26-23-24-20-19-22-28-24/h6-7,9-10,12-13,15-16,19-20,22H,2-5,8,11,14,17-18,21,23H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-
InChIKeyCHQKWUIJHAGTDS-DOFZRALJSA-N
XLogP7.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.64
LogP ≤ 57.51
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-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide (CID 10272277) is (5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cccs1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is CHQKWUIJHAGTDS-DOFZRALJSA-N. The full InChI is InChI=1S/C25H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(27)26-23-24-20-19-22-28-24/h6-7,9-10,12-13,15-16,19-20,22H,2-5,8,11,14,17-18,21,23H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 399.64 g/mol, XLogP of 7.51, 16 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-(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10272277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).