5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide

C18H16N2O3S — CID 174239538

IUPAC5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)NN=Cc3cccs3)o2)cc1
InChIInChI=1S/C18H16N2O3S/c1-2-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18(21)20-19-12-15-4-3-11-24-15/h3-12H,2H2,1H3,(H,20,21)
InChIKeyVHCNXYKOGUOKSO-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.17
Rot. Bonds6

About 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide

5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide (PubChem CID 174239538) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide
PubChem CID174239538
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)NN=Cc3cccs3)o2)cc1
InChIInChI=1S/C18H16N2O3S/c1-2-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18(21)20-19-12-15-4-3-11-24-15/h3-12H,2H2,1H3,(H,20,21)
InChIKeyVHCNXYKOGUOKSO-UHFFFAOYSA-N
XLogP4.17
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
CID 5421765
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 42992148
5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 932602
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
3-(4-octoxyphenyl)-N-(thiophen-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3542747
2-(2-ethoxyphenoxy)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25249395
3-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5412743
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
CID 9215163
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
5-ethoxy-N-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126194311

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide (CID 174239538) is 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide is CCOc1ccc(-c2ccc(C(=O)NN=Cc3cccs3)o2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide?
The InChIKey is VHCNXYKOGUOKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-2-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18(21)20-19-12-15-4-3-11-24-15/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide?
5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide is sourced from PubChem (CID 174239538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).