N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide

C12H12N2O2S — CID 5390357

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCc1ccc(/C=N/NC(=O)Cc2cccs2)o1
InChIInChI=1S/C12H12N2O2S/c1-9-4-5-10(16-9)8-13-14-12(15)7-11-3-2-6-17-11/h2-6,8H,7H2,1H3,(H,14,15)/b13-8+
InChIKeyDSZPJKJPJDTSLT-MDWZMJQESA-N
MW248.31 g/mol
LogP2.34
Rot. Bonds4

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 5390357) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID5390357
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCc1ccc(/C=N/NC(=O)Cc2cccs2)o1
InChIInChI=1S/C12H12N2O2S/c1-9-4-5-10(16-9)8-13-14-12(15)7-11-3-2-6-17-11/h2-6,8H,7H2,1H3,(H,14,15)/b13-8+
InChIKeyDSZPJKJPJDTSLT-MDWZMJQESA-N
XLogP2.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.34
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)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide (CID 5390357) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide is Cc1ccc(/C=N/NC(=O)Cc2cccs2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is DSZPJKJPJDTSLT-MDWZMJQESA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-4-5-10(16-9)8-13-14-12(15)7-11-3-2-6-17-11/h2-6,8H,7H2,1H3,(H,14,15)/b13-8+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 248.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5390357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).