5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide

C15H11NO3S — CID 169334216

IUPAC5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1cc2cc(-c3ccc(C=O)o3)ccc2s1
InChIInChI=1S/C15H11NO3S/c1-16-15(18)14-7-10-6-9(2-5-13(10)20-14)12-4-3-11(8-17)19-12/h2-8H,1H3,(H,16,18)
InChIKeyPQMDOUVGOJJOJV-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.33
Rot. Bonds3

About 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide

5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 169334216) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID169334216
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1cc2cc(-c3ccc(C=O)o3)ccc2s1
InChIInChI=1S/C15H11NO3S/c1-16-15(18)14-7-10-6-9(2-5-13(10)20-14)12-4-3-11(8-17)19-12/h2-8H,1H3,(H,16,18)
InChIKeyPQMDOUVGOJJOJV-UHFFFAOYSA-N
XLogP3.33
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide (CID 169334216) is 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide is CNC(=O)c1cc2cc(-c3ccc(C=O)o3)ccc2s1.
What is the InChIKey of 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is PQMDOUVGOJJOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-16-15(18)14-7-10-6-9(2-5-13(10)20-14)12-4-3-11(8-17)19-12/h2-8H,1H3,(H,16,18).
What are the key properties of 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide?
5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 169334216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).