5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide

C16H13NO3S — CID 169333063

IUPAC5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(-c3ccc(C=O)o3)ccc2s1
InChIInChI=1S/C16H13NO3S/c1-17(2)16(19)15-8-11-7-10(3-6-14(11)21-15)13-5-4-12(9-18)20-13/h3-9H,1-2H3
InChIKeyJGAWHQKENNMJEL-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.68
Rot. Bonds3

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

5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 169333063) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID169333063
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(-c3ccc(C=O)o3)ccc2s1
InChIInChI=1S/C16H13NO3S/c1-17(2)16(19)15-8-11-7-10(3-6-14(11)21-15)13-5-4-12(9-18)20-13/h3-9H,1-2H3
InChIKeyJGAWHQKENNMJEL-UHFFFAOYSA-N
XLogP3.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide
CID 169334216
N,N-dimethyl-5-(methylamino)-1-benzothiophene-2-carboxamide
CID 145325649
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
5-acridin-2-ylfuran-2-carbaldehyde
CID 169333174
4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide
CID 169335155
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264
5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 168537947
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide
CID 169332851
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]furan-2-carbaldehyde
CID 169334400
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716

Frequently Asked Questions

What is the IUPAC name of 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide (CID 169333063) is 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide is CN(C)C(=O)c1cc2cc(-c3ccc(C=O)o3)ccc2s1.
What is the InChIKey of 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is JGAWHQKENNMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-17(2)16(19)15-8-11-7-10(3-6-14(11)21-15)13-5-4-12(9-18)20-13/h3-9H,1-2H3.
What are the key properties of 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide?
5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylfuran-2-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 169333063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).