N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide

C11H10N2O2S — CID 6869206

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1ccco1
InChIInChI=1S/C11H10N2O2S/c14-11(7-10-4-2-6-16-10)13-12-8-9-3-1-5-15-9/h1-6,8H,7H2,(H,13,14)/b12-8+
InChIKeyREWNIKQBMMPLKI-XYOKQWHBSA-N
MW234.28 g/mol
LogP2.03
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 6869206) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID6869206
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1ccco1
InChIInChI=1S/C11H10N2O2S/c14-11(7-10-4-2-6-16-10)13-12-8-9-3-1-5-15-9/h1-6,8H,7H2,(H,13,14)/b12-8+
InChIKeyREWNIKQBMMPLKI-XYOKQWHBSA-N
XLogP2.03
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide (CID 6869206) is N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is REWNIKQBMMPLKI-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11(7-10-4-2-6-16-10)13-12-8-9-3-1-5-15-9/h1-6,8H,7H2,(H,13,14)/b12-8+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 234.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6869206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).