6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide

C31H23FN6O5S — CID 118589264

About 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide

6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide (PubChem CID 118589264) has the molecular formula C31H23FN6O5S and a molecular weight of 610.63 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide
• PubChem CID: 118589264
• Molecular Formula: C31H23FN6O5S
• Molecular Weight: 610.63 g/mol
• Exact Mass: 610.14
• IUPAC Name: 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide
• SMILES: CCS(=O)(=O)Nc1cc2oc(-n3ccccc3=O)c(C(=O)NC)c2cc1-c1ccc2ncn3c4cccc(F)c4cc3c2n1
• InChI: InChI=1S/C31H23FN6O5S/c1-3-44(41,42)36-23-15-26-19(28(30(40)33-2)31(43-26)37-12-5-4-9-27(37)39)13-18(23)21-10-11-22-29(35-21)25-14-17-20(32)7-6-8-24(17)38(25)16-34-22/h4-16,36H,3H2,1-2H3,(H,33,40)
• InChIKey: DTGMUXHKNFTYQQ-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 140.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.63
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide?

The IUPAC name of 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide (CID 118589264) is 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide is CCS(=O)(=O)Nc1cc2oc(-n3ccccc3=O)c(C(=O)NC)c2cc1-c1ccc2ncn3c4cccc(F)c4cc3c2n1.

What is the InChIKey of 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide?

The InChIKey is DTGMUXHKNFTYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN6O5S/c1-3-44(41,42)36-23-15-26-19(28(30(40)33-2)31(43-26)37-12-5-4-9-27(37)39)13-18(23)21-10-11-22-29(35-21)25-14-17-20(32)7-6-8-24(17)38(25)16-34-22/h4-16,36H,3H2,1-2H3,(H,33,40).

What are the key properties of 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide?

6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide has a molecular weight of 610.63 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(ethylsulfonylamino)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 118589264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).