(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide

C27H41NOS — CID 11102012

IUPAC(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C27H41NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)28-25(2)23-26-21-22-30-24-26/h7-8,10-11,13-14,16-17,21-22,24-25H,3-6,9,12,15,18-20,23H2,1-2H3,(H,28,29)/b8-7-,11-10-,14-13-,17-16-
InChIKeySRJYIYYIALICKM-ZKWNWVNESA-N
MW427.70 g/mol
LogP7.94
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide (PubChem CID 11102012) has the molecular formula C27H41NOS and a molecular weight of 427.70 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
PubChem CID11102012
Molecular FormulaC27H41NOS
Molecular Weight427.70 g/mol
Exact Mass427.29
IUPAC Name(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C27H41NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)28-25(2)23-26-21-22-30-24-26/h7-8,10-11,13-14,16-17,21-22,24-25H,3-6,9,12,15,18-20,23H2,1-2H3,(H,28,29)/b8-7-,11-10-,14-13-,17-16-
InChIKeySRJYIYYIALICKM-ZKWNWVNESA-N
XLogP7.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.70
LogP ≤ 57.94
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'}

Analyze (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide (CID 11102012) is (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)Cc1ccsc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide?
The InChIKey is SRJYIYYIALICKM-ZKWNWVNESA-N. The full InChI is InChI=1S/C27H41NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)28-25(2)23-26-21-22-30-24-26/h7-8,10-11,13-14,16-17,21-22,24-25H,3-6,9,12,15,18-20,23H2,1-2H3,(H,28,29)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide has a molecular weight of 427.70 g/mol, XLogP of 7.94, 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-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 11102012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).