6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide

C12H12FNO2S — CID 58917900

IUPAC6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1sc2cc(F)ccc2c1C
InChIInChI=1S/C12H12FNO2S/c1-7-9-5-4-8(13)6-10(9)17-11(7)12(15)14(2)16-3/h4-6H,1-3H3
InChIKeyWZHSJOYILRUHAB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.98
Rot. Bonds2

About 6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide

6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 58917900) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID58917900
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1sc2cc(F)ccc2c1C
InChIInChI=1S/C12H12FNO2S/c1-7-9-5-4-8(13)6-10(9)17-11(7)12(15)14(2)16-3/h4-6H,1-3H3
InChIKeyWZHSJOYILRUHAB-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.98
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,3-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide (CID 58917900) is 6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide is CON(C)C(=O)c1sc2cc(F)ccc2c1C.
What is the InChIKey of 6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is WZHSJOYILRUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-7-9-5-4-8(13)6-10(9)17-11(7)12(15)14(2)16-3/h4-6H,1-3H3.
What are the key properties of 6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide?
6-fluoro-N-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.98, 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,3-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 58917900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).