N-(thiophen-2-ylmethylideneamino)octadecanamide

C23H40N2OS — CID 75087356

IUPACN-(thiophen-2-ylmethylideneamino)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN=Cc1cccs1
InChIInChI=1S/C23H40N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)25-24-21-22-18-17-20-27-22/h17-18,20-21H,2-16,19H2,1H3,(H,25,26)
InChIKeyAAPBSXVZKJXBFJ-UHFFFAOYSA-N
MW392.65 g/mol
LogP7.46
Rot. Bonds18

About N-(thiophen-2-ylmethylideneamino)octadecanamide

N-(thiophen-2-ylmethylideneamino)octadecanamide (PubChem CID 75087356) has the molecular formula C23H40N2OS and a molecular weight of 392.65 g/mol. Its IUPAC name is N-(thiophen-2-ylmethylideneamino)octadecanamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethylideneamino)octadecanamide
PubChem CID75087356
Molecular FormulaC23H40N2OS
Molecular Weight392.65 g/mol
Exact Mass392.29
IUPAC NameN-(thiophen-2-ylmethylideneamino)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN=Cc1cccs1
InChIInChI=1S/C23H40N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)25-24-21-22-18-17-20-27-22/h17-18,20-21H,2-16,19H2,1H3,(H,25,26)
InChIKeyAAPBSXVZKJXBFJ-UHFFFAOYSA-N
XLogP7.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.65
LogP ≤ 57.46
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-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
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-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-(thiophen-3-ylmethylideneamino)decanamide
CID 4640197
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethylideneamino)octadecanamide?
The IUPAC name of N-(thiophen-2-ylmethylideneamino)octadecanamide (CID 75087356) is N-(thiophen-2-ylmethylideneamino)octadecanamide.
What is the SMILES notation for N-(thiophen-2-ylmethylideneamino)octadecanamide?
The canonical SMILES for N-(thiophen-2-ylmethylideneamino)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethylideneamino)octadecanamide?
The InChIKey is AAPBSXVZKJXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)25-24-21-22-18-17-20-27-22/h17-18,20-21H,2-16,19H2,1H3,(H,25,26).
What are the key properties of N-(thiophen-2-ylmethylideneamino)octadecanamide?
N-(thiophen-2-ylmethylideneamino)octadecanamide has a molecular weight of 392.65 g/mol, XLogP of 7.46, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethylideneamino)octadecanamide is sourced from PubChem (CID 75087356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).