5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide

C71H65BBrF2N5O10S2 — CID 158029180

IUPAC5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide
SMILESBrc1ccc2c(c1)C=C(c1ccccc1)C2.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4[nH]c(-c5ccccc5)cc4c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(B3OC(C)(C)C(C)(C)O3)cc12
InChIInChI=1S/C32H26FN3O4S.C24H28BFN2O6S.C15H11Br/c1-34-32(37)30-25-17-24(21-11-14-26-22(15-21)16-27(35-26)19-7-5-4-6-8-19)28(36(2)41(3,38)39)18-29(25)40-31(30)20-9-12-23(33)13-10-20;1-23(2)24(3,4)34-25(33-23)17-12-16-19(13-18(17)28(6)35(7,30)31)32-21(20(16)22(29)27-5)14-8-10-15(26)11-9-14;16-15-7-6-12-8-13(9-14(12)10-15)11-4-2-1-3-5-11/h4-18,35H,1-3H3,(H,34,37);8-13H,1-7H3,(H,27,29);1-7,9-10H,8H2
InChIKeyFGZAASDAPFQAAQ-UHFFFAOYSA-N
MW1341.17 g/mol
LogP14.65
Rot. Bonds12

About 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide

5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide (PubChem CID 158029180) has the molecular formula C71H65BBrF2N5O10S2 and a molecular weight of 1341.17 g/mol. Its IUPAC name is 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide
PubChem CID158029180
Molecular FormulaC71H65BBrF2N5O10S2
Molecular Weight1341.17 g/mol
Exact Mass1339.34
IUPAC Name5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide
SMILESBrc1ccc2c(c1)C=C(c1ccccc1)C2.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4[nH]c(-c5ccccc5)cc4c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(B3OC(C)(C)C(C)(C)O3)cc12
InChIInChI=1S/C32H26FN3O4S.C24H28BFN2O6S.C15H11Br/c1-34-32(37)30-25-17-24(21-11-14-26-22(15-21)16-27(35-26)19-7-5-4-6-8-19)28(36(2)41(3,38)39)18-29(25)40-31(30)20-9-12-23(33)13-10-20;1-23(2)24(3,4)34-25(33-23)17-12-16-19(13-18(17)28(6)35(7,30)31)32-21(20(16)22(29)27-5)14-8-10-15(26)11-9-14;16-15-7-6-12-8-13(9-14(12)10-15)11-4-2-1-3-5-11/h4-18,35H,1-3H3,(H,34,37);8-13H,1-7H3,(H,27,29);1-7,9-10H,8H2
InChIKeyFGZAASDAPFQAAQ-UHFFFAOYSA-N
XLogP14.65
TPSA193.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001341.17
LogP ≤ 514.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-3H-benzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 71509680
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(3-phenyl-1,2-benzoxazol-5-yl)-1-benzofuran-3-carboxamide
CID 71295319
6-bromo-3-phenylquinazolin-4-one;N-[2-(4-fluorophenyl)-5-(4-oxo-3-phenylquinazolin-6-yl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[2-(4-fluorophenyl)-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 160505717
5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158902801
1-tert-butyl-5-chloro-2-phenylimidazo[4,5-b]pyridine;5-(1-tert-butyl-2-phenylimidazo[4,5-b]pyridin-5-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide
CID 159853721
5-(17-chloro-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)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;4,17-dichloro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide
CID 157374296
2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509848
5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 126486474
2-(4-fluorophenyl)-5-[3-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-7-ium-2-yl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123716907
4-bromo-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-4-yl)-1-benzofuran-3-carboxamide;methane
CID 159138232
5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate
CID 158440782
N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(2-phenyl-3H-indol-6-yl)-1-benzofuran-3-carboxamide
CID 161306924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide (CID 158029180) is 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide is Brc1ccc2c(c1)C=C(c1ccccc1)C2.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4[nH]c(-c5ccccc5)cc4c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(B3OC(C)(C)C(C)(C)O3)cc12.
What is the InChIKey of 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide?
The InChIKey is FGZAASDAPFQAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O4S.C24H28BFN2O6S.C15H11Br/c1-34-32(37)30-25-17-24(21-11-14-26-22(15-21)16-27(35-26)19-7-5-4-6-8-19)28(36(2)41(3,38)39)18-29(25)40-31(30)20-9-12-23(33)13-10-20;1-23(2)24(3,4)34-25(33-23)17-12-16-19(13-18(17)28(6)35(7,30)31)32-21(20(16)22(29)27-5)14-8-10-15(26)11-9-14;16-15-7-6-12-8-13(9-14(12)10-15)11-4-2-1-3-5-11/h4-18,35H,1-3H3,(H,34,37);8-13H,1-7H3,(H,27,29);1-7,9-10H,8H2.
What are the key properties of 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide?
5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide has a molecular weight of 1341.17 g/mol, XLogP of 14.65, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-1H-indene;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(2-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide;2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158029180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).