5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide

C153H125F7N30O20S5 — CID 162067216

IUPAC5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5ccc(F)cc5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5cc(F)cc(F)c5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(C(F)(F)F)cc5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(F)cc5)c4n3)cc12.[C-]#[N+]c1ccc(-n2cnc3cnc(-c4cc5c(C(=O)NC)c(-c6ccc(C)cc6)oc5cc4N(C)S(C)(=O)=O)nc32)cc1
InChIInChI=1S/C31H25F3N6O4S.C31H26FN5O4S.C31H25N7O4S.C30H24F2N6O4S.C30H25FN6O4S/c1-17-5-7-18(8-6-17)27-26(30(41)35-2)22-13-21(24(14-25(22)44-27)39(3)45(4,42)43)28-36-15-23-29(38-28)40(16-37-23)20-11-9-19(10-12-20)31(32,33)34;1-18-5-7-19(8-6-18)29-28(31(38)33-2)23-15-22(26(16-27(23)41-29)36(3)42(4,39)40)24-13-14-25-30(35-24)37(17-34-25)21-11-9-20(32)10-12-21;1-18-6-8-19(9-7-18)28-27(31(39)33-3)23-14-22(25(15-26(23)42-28)37(4)43(5,40)41)29-34-16-24-30(36-29)38(17-35-24)21-12-10-20(32-2)11-13-21;1-16-5-7-17(8-6-16)27-26(30(39)33-2)22-12-21(24(13-25(22)42-27)37(3)43(4,40)41)28-34-14-23-29(36-28)38(15-35-23)20-10-18(31)9-19(32)11-20;1-17-5-7-18(8-6-17)27-26(30(38)32-2)22-13-21(24(14-25(22)41-27)36(3)42(4,39)40)28-33-15-23-29(35-28)37(16-34-23)20-11-9-19(31)10-12-20/h5-16H,1-4H3,(H,35,41);5-17H,1-4H3,(H,33,38);6-17H,1,3-5H3,(H,33,39);5-15H,1-4H3,(H,33,39);5-16H,1-4H3,(H,32,38)
InChIKeyZAPOXQUATVSGFH-UHFFFAOYSA-N
MW2997.19 g/mol
LogP27.53
Rot. Bonds30

About 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide

5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 162067216) has the molecular formula C153H125F7N30O20S5 and a molecular weight of 2997.19 g/mol. Its IUPAC name is 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide
PubChem CID162067216
Molecular FormulaC153H125F7N30O20S5
Molecular Weight2997.19 g/mol
Exact Mass2994.82
IUPAC Name5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5ccc(F)cc5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5cc(F)cc(F)c5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(C(F)(F)F)cc5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(F)cc5)c4n3)cc12.[C-]#[N+]c1ccc(-n2cnc3cnc(-c4cc5c(C(=O)NC)c(-c6ccc(C)cc6)oc5cc4N(C)S(C)(=O)=O)nc32)cc1
InChIInChI=1S/C31H25F3N6O4S.C31H26FN5O4S.C31H25N7O4S.C30H24F2N6O4S.C30H25FN6O4S/c1-17-5-7-18(8-6-17)27-26(30(41)35-2)22-13-21(24(14-25(22)44-27)39(3)45(4,42)43)28-36-15-23-29(38-28)40(16-37-23)20-11-9-19(10-12-20)31(32,33)34;1-18-5-7-19(8-6-18)29-28(31(38)33-2)23-15-22(26(16-27(23)41-29)36(3)42(4,39)40)24-13-14-25-30(35-24)37(17-34-25)21-11-9-20(32)10-12-21;1-18-6-8-19(9-7-18)28-27(31(39)33-3)23-14-22(25(15-26(23)42-28)37(4)43(5,40)41)29-34-16-24-30(36-29)38(17-35-24)21-12-10-20(32-2)11-13-21;1-16-5-7-17(8-6-16)27-26(30(39)33-2)22-12-21(24(13-25(22)42-27)37(3)43(4,40)41)28-34-14-23-29(36-28)38(15-35-23)20-10-18(31)9-19(32)11-20;1-17-5-7-18(8-6-17)27-26(30(38)32-2)22-13-21(24(14-25(22)41-27)36(3)42(4,39)40)28-33-15-23-29(35-28)37(16-34-23)20-11-9-19(31)10-12-20/h5-16H,1-4H3,(H,35,41);5-17H,1-4H3,(H,33,38);6-17H,1,3-5H3,(H,33,39);5-15H,1-4H3,(H,33,39);5-16H,1-4H3,(H,32,38)
InChIKeyZAPOXQUATVSGFH-UHFFFAOYSA-N
XLogP27.53
TPSA607.57 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002997.19
LogP ≤ 527.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-(11-fluoropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318214
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89434864
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-5,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89434865
5-(13-fluoro-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)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435010
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
CID 89435018
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16)-pentaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435049
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435067
6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 89435071
6-[2,2-difluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435077
5-(11-fluoro-5,6-dihydropyrimido[4',5':3,4]pyrido[1,2-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 90341034
6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]-1-benzofuran-3-carboxamide
CID 122500002
2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 53377659

Frequently Asked Questions

What is the IUPAC name of 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide (CID 162067216) is 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5ccc(F)cc5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5cc(F)cc(F)c5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(C(F)(F)F)cc5)c4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ncc4ncn(-c5ccc(F)cc5)c4n3)cc12.[C-]#[N+]c1ccc(-n2cnc3cnc(-c4cc5c(C(=O)NC)c(-c6ccc(C)cc6)oc5cc4N(C)S(C)(=O)=O)nc32)cc1.
What is the InChIKey of 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is ZAPOXQUATVSGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N6O4S.C31H26FN5O4S.C31H25N7O4S.C30H24F2N6O4S.C30H25FN6O4S/c1-17-5-7-18(8-6-17)27-26(30(41)35-2)22-13-21(24(14-25(22)44-27)39(3)45(4,42)43)28-36-15-23-29(38-28)40(16-37-23)20-11-9-19(10-12-20)31(32,33)34;1-18-5-7-19(8-6-18)29-28(31(38)33-2)23-15-22(26(16-27(23)41-29)36(3)42(4,39)40)24-13-14-25-30(35-24)37(17-34-25)21-11-9-20(32)10-12-21;1-18-6-8-19(9-7-18)28-27(31(39)33-3)23-14-22(25(15-26(23)42-28)37(4)43(5,40)41)29-34-16-24-30(36-29)38(17-35-24)21-12-10-20(32-2)11-13-21;1-16-5-7-17(8-6-16)27-26(30(39)33-2)22-12-21(24(13-25(22)42-27)37(3)43(4,40)41)28-34-14-23-29(36-28)38(15-35-23)20-10-18(31)9-19(32)11-20;1-17-5-7-18(8-6-17)27-26(30(38)32-2)22-13-21(24(14-25(22)41-27)36(3)42(4,39)40)28-33-15-23-29(35-28)37(16-34-23)20-11-9-19(31)10-12-20/h5-16H,1-4H3,(H,35,41);5-17H,1-4H3,(H,33,38);6-17H,1,3-5H3,(H,33,39);5-15H,1-4H3,(H,33,39);5-16H,1-4H3,(H,32,38).
What are the key properties of 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide?
5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 2997.19 g/mol, XLogP of 27.53, 30 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(3,5-difluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-fluorophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[9-(4-isocyanophenyl)purin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethyl)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 162067216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).