N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide

C13H15NO2S — CID 56765541

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(CNC(=O)Cc2cccs2)c(C)o1
InChIInChI=1S/C13H15NO2S/c1-9-6-11(10(2)16-9)8-14-13(15)7-12-4-3-5-17-12/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeySQWNPJSDWYLGIV-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.82
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 56765541) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID56765541
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(CNC(=O)Cc2cccs2)c(C)o1
InChIInChI=1S/C13H15NO2S/c1-9-6-11(10(2)16-9)8-14-13(15)7-12-4-3-5-17-12/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeySQWNPJSDWYLGIV-UHFFFAOYSA-N
XLogP2.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 56765541) is N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide is Cc1cc(CNC(=O)Cc2cccs2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is SQWNPJSDWYLGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-6-11(10(2)16-9)8-14-13(15)7-12-4-3-5-17-12/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 249.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 56765541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).