5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide

C11H9F2NO2S — CID 86707396

IUPAC5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2cc(F)cc(F)c2s1
InChIInChI=1S/C11H9F2NO2S/c1-14(16-2)11(15)9-4-6-3-7(12)5-8(13)10(6)17-9/h3-5H,1-2H3
InChIKeyHKMWIRONWYVSQZ-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.81
Rot. Bonds2

About 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide

5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 86707396) has the molecular formula C11H9F2NO2S and a molecular weight of 257.26 g/mol. Its IUPAC name is 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID86707396
Molecular FormulaC11H9F2NO2S
Molecular Weight257.26 g/mol
Exact Mass257.03
IUPAC Name5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2cc(F)cc(F)c2s1
InChIInChI=1S/C11H9F2NO2S/c1-14(16-2)11(15)9-4-6-3-7(12)5-8(13)10(6)17-9/h3-5H,1-2H3
InChIKeyHKMWIRONWYVSQZ-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.81
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 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide (CID 86707396) is 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide is CON(C)C(=O)c1cc2cc(F)cc(F)c2s1.
What is the InChIKey of 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is HKMWIRONWYVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2S/c1-14(16-2)11(15)9-4-6-3-7(12)5-8(13)10(6)17-9/h3-5H,1-2H3.
What are the key properties of 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 257.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 86707396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).