5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C32H25F2N5O4S — CID 118573581

About 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 118573581) has the molecular formula C32H25F2N5O4S and a molecular weight of 613.65 g/mol. Its IUPAC name is 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 118573581
• Molecular Formula: C32H25F2N5O4S
• Molecular Weight: 613.65 g/mol
• Exact Mass: 613.16
• IUPAC Name: 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• SMILES: C=Cc1ncc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3cc2NS(=O)(=O)CC)nc1-c1cc2c(F)cccc2[nH]1
• InChI: InChI=1S/C32H25F2N5O4S/c1-4-23-30(26-14-19-22(34)7-6-8-24(19)37-26)38-27(16-36-23)20-13-21-28(15-25(20)39-44(41,42)5-2)43-31(29(21)32(40)35-3)17-9-11-18(33)12-10-17/h4,6-16,37,39H,1,5H2,2-3H3,(H,35,40)
• InChIKey: PHVVREYZMXZICK-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 129.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.65
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The IUPAC name of 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 118573581) is 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is C=Cc1ncc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3cc2NS(=O)(=O)CC)nc1-c1cc2c(F)cccc2[nH]1.

What is the InChIKey of 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

The InChIKey is PHVVREYZMXZICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N5O4S/c1-4-23-30(26-14-19-22(34)7-6-8-24(19)37-26)38-27(16-36-23)20-13-21-28(15-25(20)39-44(41,42)5-2)43-31(29(21)32(40)35-3)17-9-11-18(33)12-10-17/h4,6-16,37,39H,1,5H2,2-3H3,(H,35,40).

What are the key properties of 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?

5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 613.65 g/mol, XLogP of 6.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 118573581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).