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

C11H10FNO2S — CID 55028026

IUPAC4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C11H10FNO2S/c1-13(15-2)11(14)10-6-7-8(12)4-3-5-9(7)16-10/h3-6H,1-2H3
InChIKeyAZMYRFZFBWJORW-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.67
Rot. Bonds2

About 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 55028026) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID55028026
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C11H10FNO2S/c1-13(15-2)11(14)10-6-7-8(12)4-3-5-9(7)16-10/h3-6H,1-2H3
InChIKeyAZMYRFZFBWJORW-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 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide (CID 55028026) is 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide is CON(C)C(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is AZMYRFZFBWJORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-13(15-2)11(14)10-6-7-8(12)4-3-5-9(7)16-10/h3-6H,1-2H3.
What are the key properties of 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
4-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 4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55028026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).