2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide

C24H19FN2O5S — CID 59275287

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NS(C)(=O)=O)c3)cc12
InChIInChI=1S/C24H19FN2O5S/c1-26-24(29)21-19-13-16(15-4-3-5-17(12-15)23(28)27-33(2,30)31)8-11-20(19)32-22(21)14-6-9-18(25)10-7-14/h3-13H,1-2H3,(H,26,29)(H,27,28)
InChIKeyZBPUXZUUIQFXFU-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275287) has the molecular formula C24H19FN2O5S and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID59275287
Molecular FormulaC24H19FN2O5S
Molecular Weight466.49 g/mol
Exact Mass466.10
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NS(C)(=O)=O)c3)cc12
InChIInChI=1S/C24H19FN2O5S/c1-26-24(29)21-19-13-16(15-4-3-5-17(12-15)23(28)27-33(2,30)31)8-11-20(19)32-22(21)14-6-9-18(25)10-7-14/h3-13H,1-2H3,(H,26,29)(H,27,28)
InChIKeyZBPUXZUUIQFXFU-UHFFFAOYSA-N
XLogP3.95
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide (CID 59275287) is 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NS(C)(=O)=O)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is ZBPUXZUUIQFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5S/c1-26-24(29)21-19-13-16(15-4-3-5-17(12-15)23(28)27-33(2,30)31)8-11-20(19)32-22(21)14-6-9-18(25)10-7-14/h3-13H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-(methylsulfonylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).