N-[(E)-thiophen-2-ylmethylideneamino]octanamide

C13H20N2OS — CID 6894116

IUPACN-[(E)-thiophen-2-ylmethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/c1cccs1
InChIInChI=1S/C13H20N2OS/c1-2-3-4-5-6-9-13(16)15-14-11-12-8-7-10-17-12/h7-8,10-11H,2-6,9H2,1H3,(H,15,16)/b14-11+
InChIKeyDQFDDKOSLYHFRB-SDNWHVSQSA-N
MW252.38 g/mol
LogP3.56
Rot. Bonds8

About N-[(E)-thiophen-2-ylmethylideneamino]octanamide

N-[(E)-thiophen-2-ylmethylideneamino]octanamide (PubChem CID 6894116) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[(E)-thiophen-2-ylmethylideneamino]octanamide.

Molecular Properties

Compound NameN-[(E)-thiophen-2-ylmethylideneamino]octanamide
PubChem CID6894116
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[(E)-thiophen-2-ylmethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/c1cccs1
InChIInChI=1S/C13H20N2OS/c1-2-3-4-5-6-9-13(16)15-14-11-12-8-7-10-17-12/h7-8,10-11H,2-6,9H2,1H3,(H,15,16)/b14-11+
InChIKeyDQFDDKOSLYHFRB-SDNWHVSQSA-N
XLogP3.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-(thiophen-3-ylmethylideneamino)decanamide
CID 4640197
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814

Frequently Asked Questions

What is the IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]octanamide?
The IUPAC name of N-[(E)-thiophen-2-ylmethylideneamino]octanamide (CID 6894116) is N-[(E)-thiophen-2-ylmethylideneamino]octanamide.
What is the SMILES notation for N-[(E)-thiophen-2-ylmethylideneamino]octanamide?
The canonical SMILES for N-[(E)-thiophen-2-ylmethylideneamino]octanamide is CCCCCCCC(=O)N/N=C/c1cccs1.
What is the InChIKey of N-[(E)-thiophen-2-ylmethylideneamino]octanamide?
The InChIKey is DQFDDKOSLYHFRB-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-3-4-5-6-9-13(16)15-14-11-12-8-7-10-17-12/h7-8,10-11H,2-6,9H2,1H3,(H,15,16)/b14-11+.
What are the key properties of N-[(E)-thiophen-2-ylmethylideneamino]octanamide?
N-[(E)-thiophen-2-ylmethylideneamino]octanamide has a molecular weight of 252.38 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-thiophen-2-ylmethylideneamino]octanamide is sourced from PubChem (CID 6894116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).