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

C32H23F2N5O4S — CID 118589295

IUPAC6-(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
SMILESCCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc2c(cn1)ncn1c3cccc(F)c3cc21
InChIInChI=1S/C32H23F2N5O4S/c1-3-44(41,42)38-25-14-29-22(30(32(40)35-2)31(43-29)17-7-9-18(33)10-8-17)11-20(25)24-12-21-26(15-36-24)37-16-39-27-6-4-5-23(34)19(27)13-28(21)39/h4-16,38H,3H2,1-2H3,(H,35,40)
InChIKeyOXZLQCAQUJLFTH-UHFFFAOYSA-N
MW611.63 g/mol
LogP6.52
Rot. Bonds6

About 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

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 (PubChem CID 118589295) has the molecular formula C32H23F2N5O4S and a molecular weight of 611.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID118589295
Molecular FormulaC32H23F2N5O4S
Molecular Weight611.63 g/mol
Exact Mass611.14
IUPAC Name6-(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
SMILESCCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc2c(cn1)ncn1c3cccc(F)c3cc21
InChIInChI=1S/C32H23F2N5O4S/c1-3-44(41,42)38-25-14-29-22(30(32(40)35-2)31(43-29)17-7-9-18(33)10-8-17)11-20(25)24-12-21-26(15-36-24)37-16-39-27-6-4-5-23(34)19(27)13-28(21)39/h4-16,38H,3H2,1-2H3,(H,35,40)
InChIKeyOXZLQCAQUJLFTH-UHFFFAOYSA-N
XLogP6.52
TPSA118.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.63
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-(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
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-[3-(4-fluoro-1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67393525
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 90278944
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
5-(4-cyanophenyl)-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71140107
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 90302716
6-(dimethylamino)-5-[15-fluoro-9-(methylsulfanylmethyl)-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]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 144681614
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71139977
[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc2c(cn1)ncn1c3cccc(F)c3cc21.
What is the InChIKey of 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?
The InChIKey is OXZLQCAQUJLFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2N5O4S/c1-3-44(41,42)38-25-14-29-22(30(32(40)35-2)31(43-29)17-7-9-18(33)10-8-17)11-20(25)24-12-21-26(15-36-24)37-16-39-27-6-4-5-23(34)19(27)13-28(21)39/h4-16,38H,3H2,1-2H3,(H,35,40).
What are the key properties of 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?
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 has a molecular weight of 611.63 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118589295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).