2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide

C11H10N2O2S — CID 5335018

IUPAC2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H10N2O2S/c1-8-10(4-5-15-8)11(14)13-12-7-9-3-2-6-16-9/h2-7H,1H3,(H,13,14)/b12-7+
InChIKeyXGQLTVYQXFFVHE-KPKJPENVSA-N
MW234.28 g/mol
LogP2.41
Rot. Bonds3

About 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide (PubChem CID 5335018) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide
PubChem CID5335018
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H10N2O2S/c1-8-10(4-5-15-8)11(14)13-12-7-9-3-2-6-16-9/h2-7H,1H3,(H,13,14)/b12-7+
InChIKeyXGQLTVYQXFFVHE-KPKJPENVSA-N
XLogP2.41
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.41
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 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide (CID 5335018) is 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C/c1cccs1.
What is the InChIKey of 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide?
The InChIKey is XGQLTVYQXFFVHE-KPKJPENVSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-8-10(4-5-15-8)11(14)13-12-7-9-3-2-6-16-9/h2-7H,1H3,(H,13,14)/b12-7+.
What are the key properties of 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide has a molecular weight of 234.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-thiophen-2-ylmethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 5335018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).