6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide

C11H10FNO2S — CID 86028325

IUPAC6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H10FNO2S/c1-13(15-2)11(14)10-5-7-3-4-8(12)6-9(7)16-10/h3-6H,1-2H3
InChIKeyHETODKYXEKUYBH-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.67
Rot. Bonds2

About 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide

6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 86028325) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID86028325
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H10FNO2S/c1-13(15-2)11(14)10-5-7-3-4-8(12)6-9(7)16-10/h3-6H,1-2H3
InChIKeyHETODKYXEKUYBH-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide (CID 86028325) is 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide is CON(C)C(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is HETODKYXEKUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-13(15-2)11(14)10-5-7-3-4-8(12)6-9(7)16-10/h3-6H,1-2H3.
What are the key properties of 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 86028325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).