4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide

C11H10FNO2S — CID 123239529

IUPAC4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide
SMILESCOC(F)c1cccc2sc(C(N)=O)cc12
InChIInChI=1S/C11H10FNO2S/c1-15-10(12)6-3-2-4-8-7(6)5-9(16-8)11(13)14/h2-5,10H,1H3,(H2,13,14)
InChIKeyYVTWKXNWBNAZJH-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.61
Rot. Bonds3

About 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide

4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 123239529) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide
PubChem CID123239529
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide
SMILESCOC(F)c1cccc2sc(C(N)=O)cc12
InChIInChI=1S/C11H10FNO2S/c1-15-10(12)6-3-2-4-8-7(6)5-9(16-8)11(13)14/h2-5,10H,1H3,(H2,13,14)
InChIKeyYVTWKXNWBNAZJH-UHFFFAOYSA-N
XLogP2.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide (CID 123239529) is 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide is COC(F)c1cccc2sc(C(N)=O)cc12.
What is the InChIKey of 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is YVTWKXNWBNAZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-15-10(12)6-3-2-4-8-7(6)5-9(16-8)11(13)14/h2-5,10H,1H3,(H2,13,14).
What are the key properties of 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide?
4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(methoxy)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 123239529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).