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

C30H41NOS2 — CID 10973077

IUPAC(5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C30H41NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(32)31(26-28-21-19-24-33-28)27-29-22-20-25-34-29/h6-7,9-10,12-13,15-16,19-22,24-25H,2-5,8,11,14,17-18,23,26-27H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeySTONVWCTAJNPLZ-DOFZRALJSA-N
MW495.80 g/mol
LogP9.48
Rot. Bonds18

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

(5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide (PubChem CID 10973077) has the molecular formula C30H41NOS2 and a molecular weight of 495.80 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide
PubChem CID10973077
Molecular FormulaC30H41NOS2
Molecular Weight495.80 g/mol
Exact Mass495.26
IUPAC Name(5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C30H41NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(32)31(26-28-21-19-24-33-28)27-29-22-20-25-34-29/h6-7,9-10,12-13,15-16,19-22,24-25H,2-5,8,11,14,17-18,23,26-27H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeySTONVWCTAJNPLZ-DOFZRALJSA-N
XLogP9.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.80
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide with MolForge

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Related Compounds

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CID 2740027
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CID 60236671
N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
2-Sulfanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 233540
Icosa-5,8,11,14-tetraenoic acid (thiophen-2-ylmethyl)-amide
CID 10272277
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-2-yl-ethyl)-amide
CID 10949701
N,N'-bis(2-thienylmethyl)hexanediamide
CID 2165960
N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 121446760
1-(Thiophene-2-carbonyl)pyrrolidine
CID 825289
2-(2-thienyl)-N-(2-thienylmethyl)acetamide
CID 1245174
N-(2-thienylmethyl)-3-{2-[N-(2-thienylmethyl)carbamoyl]ethylthio}propanamide
CID 2169342

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide (CID 10973077) is (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is STONVWCTAJNPLZ-DOFZRALJSA-N. The full InChI is InChI=1S/C30H41NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(32)31(26-28-21-19-24-33-28)27-29-22-20-25-34-29/h6-7,9-10,12-13,15-16,19-22,24-25H,2-5,8,11,14,17-18,23,26-27H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 495.80 g/mol, XLogP of 9.48, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N,N-bis(thiophen-2-ylmethyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10973077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).