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

C32H22F4N6O4S — CID 118589279

IUPAC6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide
SMILESCCS(=O)(=O)Nc1cc2oc(-c3ccc(C(F)(F)F)nc3)c(C(=O)NC)c2cc1-c1cc2c(cn1)ncn1c3cccc(F)c3cc21
InChIInChI=1S/C32H22F4N6O4S/c1-3-47(44,45)41-23-12-27-20(29(31(43)37-2)30(46-27)16-7-8-28(39-13-16)32(34,35)36)9-18(23)22-10-19-24(14-38-22)40-15-42-25-6-4-5-21(33)17(25)11-26(19)42/h4-15,41H,3H2,1-2H3,(H,37,43)
InChIKeyBZLSEFBKLNBEHY-UHFFFAOYSA-N
MW662.63 g/mol
LogP6.79
Rot. Bonds6

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

6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide (PubChem CID 118589279) has the molecular formula C32H22F4N6O4S and a molecular weight of 662.63 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide
PubChem CID118589279
Molecular FormulaC32H22F4N6O4S
Molecular Weight662.63 g/mol
Exact Mass662.14
IUPAC Name6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide
SMILESCCS(=O)(=O)Nc1cc2oc(-c3ccc(C(F)(F)F)nc3)c(C(=O)NC)c2cc1-c1cc2c(cn1)ncn1c3cccc(F)c3cc21
InChIInChI=1S/C32H22F4N6O4S/c1-3-47(44,45)41-23-12-27-20(29(31(43)37-2)30(46-27)16-7-8-28(39-13-16)32(34,35)36)9-18(23)22-10-19-24(14-38-22)40-15-42-25-6-4-5-21(33)17(25)11-26(19)42/h4-15,41H,3H2,1-2H3,(H,37,43)
InChIKeyBZLSEFBKLNBEHY-UHFFFAOYSA-N
XLogP6.79
TPSA131.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.63
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-1-benzofuran-3-carboxamide
CID 118589295
6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[2,1-a][2,6]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 118573555
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
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-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-3-carboxamide
CID 118590225
6-(ethylsulfonylamino)-5-(6-fluoro-16-hydroxy-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-12-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 118573600
[5-[6-(ethylsulfonylamino)-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-3-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl] trifluoromethanesulfonate
CID 118573562
6-(ethylsulfonylamino)-5-[3-(4-fluoro-1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67393525
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1-benzofuran-3-carboxamide
CID 71139388
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
N-[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)-3-formyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 146557718
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 90278944
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71139977

Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide (CID 118589279) is 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide is CCS(=O)(=O)Nc1cc2oc(-c3ccc(C(F)(F)F)nc3)c(C(=O)NC)c2cc1-c1cc2c(cn1)ncn1c3cccc(F)c3cc21.
What is the InChIKey of 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide?
The InChIKey is BZLSEFBKLNBEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F4N6O4S/c1-3-47(44,45)41-23-12-27-20(29(31(43)37-2)30(46-27)16-7-8-28(39-13-16)32(34,35)36)9-18(23)22-10-19-24(14-38-22)40-15-42-25-6-4-5-21(33)17(25)11-26(19)42/h4-15,41H,3H2,1-2H3,(H,37,43).
What are the key properties of 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide?
6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide has a molecular weight of 662.63 g/mol, XLogP of 6.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfonylamino)-5-(15-fluoro-5,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-4-yl)-N-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 118589279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).