N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide

C24H34N4O2S2 — CID 4155317

IUPACN,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
SMILESCCc1ccc(C(C)=NNC(=O)CCCCCCC(=O)NN=C(C)c2ccc(CC)s2)s1
InChIInChI=1S/C24H34N4O2S2/c1-5-19-13-15-21(31-19)17(3)25-27-23(29)11-9-7-8-10-12-24(30)28-26-18(4)22-16-14-20(6-2)32-22/h13-16H,5-12H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyGWPDZFFVGUMJGZ-UHFFFAOYSA-N
MW474.70 g/mol
LogP5.66
Rot. Bonds13

About N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide

N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide (PubChem CID 4155317) has the molecular formula C24H34N4O2S2 and a molecular weight of 474.70 g/mol. Its IUPAC name is N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
PubChem CID4155317
Molecular FormulaC24H34N4O2S2
Molecular Weight474.70 g/mol
Exact Mass474.21
IUPAC NameN,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
SMILESCCc1ccc(C(C)=NNC(=O)CCCCCCC(=O)NN=C(C)c2ccc(CC)s2)s1
InChIInChI=1S/C24H34N4O2S2/c1-5-19-13-15-21(31-19)17(3)25-27-23(29)11-9-7-8-10-12-24(30)28-26-18(4)22-16-14-20(6-2)32-22/h13-16H,5-12H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyGWPDZFFVGUMJGZ-UHFFFAOYSA-N
XLogP5.66
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.70
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
CID 6299261
N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
CID 3848888
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5253057
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide
CID 4196331
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 4681796
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
CID 3720428

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide?
The IUPAC name of N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide (CID 4155317) is N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide.
What is the SMILES notation for N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide?
The canonical SMILES for N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide is CCc1ccc(C(C)=NNC(=O)CCCCCCC(=O)NN=C(C)c2ccc(CC)s2)s1.
What is the InChIKey of N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide?
The InChIKey is GWPDZFFVGUMJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S2/c1-5-19-13-15-21(31-19)17(3)25-27-23(29)11-9-7-8-10-12-24(30)28-26-18(4)22-16-14-20(6-2)32-22/h13-16H,5-12H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide?
N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide has a molecular weight of 474.70 g/mol, XLogP of 5.66, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide is sourced from PubChem (CID 4155317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).