6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide

C29H23FN6O5S — CID 118590228

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

6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 118590228) has the molecular formula C29H23FN6O5S and a molecular weight of 586.61 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 118590228
• Molecular Formula: C29H23FN6O5S
• Molecular Weight: 586.61 g/mol
• Exact Mass: 586.14
• IUPAC Name: 6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CCS(=O)(=O)Nc1cc2oc(-n3ccnc3)c(C(=O)NC)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1CO2
• InChI: InChI=1S/C29H23FN6O5S/c1-3-42(38,39)34-21-13-25-18(26(28(37)31-2)29(41-25)35-10-9-32-14-35)11-17(21)20-7-8-24-27(33-20)23-12-16-19(30)5-4-6-22(16)36(23)15-40-24/h4-14,34H,3,15H2,1-2H3,(H,31,37)
• InChIKey: UDGQPKGRCWVBKY-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 133.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.61
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide (CID 118590228) is 6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide is CCS(=O)(=O)Nc1cc2oc(-n3ccnc3)c(C(=O)NC)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1CO2.

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

The InChIKey is UDGQPKGRCWVBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN6O5S/c1-3-42(38,39)34-21-13-25-18(26(28(37)31-2)29(41-25)35-10-9-32-14-35)11-17(21)20-7-8-24-27(33-20)23-12-16-19(30)5-4-6-22(16)36(23)15-40-24/h4-14,34H,3,15H2,1-2H3,(H,31,37).

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

6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 586.61 g/mol, XLogP of 4.91, 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-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 118590228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).