5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide

C189H159F5N26O30S5 — CID 158535993

IUPAC5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3c[nH]c(=O)c(-c4nc5c(F)cccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3c[nH]c(=O)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5c(F)cccc5o4)n(C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)n(C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cnc(OC)c(-c4nc5c(F)cccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cncc(-c4nc5c(s4)CCCC5(F)F)c3)cc12
InChIInChI=1S/C34H27FN4O5.C33H28F2N4O3S.C31H25FN4O6S.C31H27FN4O5S.C30H25N5O6S.C30H27N5O5S/c1-18-9-11-19(12-10-18)31-29(32(41)36-2)22-15-21(25(16-27(22)43-31)39-13-5-8-28(39)40)20-14-23(33(42-3)37-17-20)34-38-30-24(35)6-4-7-26(30)44-34;1-18-7-9-19(10-8-18)29-28(31(41)36-2)23-14-22(24(15-25(23)42-29)39-12-4-6-27(39)40)20-13-21(17-37-16-20)32-38-30-26(43-32)5-3-11-33(30,34)35;1-16-8-10-17(11-9-16)28-26(30(38)33-2)20-13-19(23(14-25(20)41-28)36(3)43(4,39)40)18-12-21(29(37)34-15-18)31-35-27-22(32)6-5-7-24(27)42-31;1-17-9-11-18(12-10-17)29-27(30(37)33-2)21-14-20(23(15-26(21)40-29)36(4)42(5,38)39)19-13-24(35(3)16-19)31-34-28-22(32)7-6-8-25(28)41-31;1-16-7-9-17(10-8-16)26-25(29(37)31-2)20-13-19(22(14-24(20)40-26)35(3)42(4,38)39)18-12-21(28(36)33-15-18)30-34-27-23(41-30)6-5-11-32-27;1-17-8-10-18(11-9-17)27-26(29(36)31-2)21-14-20(22(15-25(21)39-27)35(4)41(5,37)38)19-13-23(34(3)16-19)30-33-28-24(40-30)7-6-12-32-28/h4,6-7,9-12,14-17H,5,8,13H2,1-3H3,(H,36,41);7-10,13-17H,3-6,11-12H2,1-2H3,(H,36,41);5-15H,1-4H3,(H,33,38)(H,34,37);6-16H,1-5H3,(H,33,37);5-15H,1-4H3,(H,31,37)(H,33,36);6-16H,1-5H3,(H,31,36)
InChIKeyHNYIAQSNWBYBCI-UHFFFAOYSA-N
MW3529.83 g/mol
LogP36.10
Rot. Bonds35

About 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide

5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 158535993) has the molecular formula C189H159F5N26O30S5 and a molecular weight of 3529.83 g/mol. Its IUPAC name is 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide
PubChem CID158535993
Molecular FormulaC189H159F5N26O30S5
Molecular Weight3529.83 g/mol
Exact Mass3527.02
IUPAC Name5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3c[nH]c(=O)c(-c4nc5c(F)cccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3c[nH]c(=O)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5c(F)cccc5o4)n(C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)n(C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cnc(OC)c(-c4nc5c(F)cccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cncc(-c4nc5c(s4)CCCC5(F)F)c3)cc12
InChIInChI=1S/C34H27FN4O5.C33H28F2N4O3S.C31H25FN4O6S.C31H27FN4O5S.C30H25N5O6S.C30H27N5O5S/c1-18-9-11-19(12-10-18)31-29(32(41)36-2)22-15-21(25(16-27(22)43-31)39-13-5-8-28(39)40)20-14-23(33(42-3)37-17-20)34-38-30-24(35)6-4-7-26(30)44-34;1-18-7-9-19(10-8-18)29-28(31(41)36-2)23-14-22(24(15-25(23)42-29)39-12-4-6-27(39)40)20-13-21(17-37-16-20)32-38-30-26(43-32)5-3-11-33(30,34)35;1-16-8-10-17(11-9-16)28-26(30(38)33-2)20-13-19(23(14-25(20)41-28)36(3)43(4,39)40)18-12-21(29(37)34-15-18)31-35-27-22(32)6-5-7-24(27)42-31;1-17-9-11-18(12-10-17)29-27(30(37)33-2)21-14-20(23(15-26(21)40-29)36(4)42(5,38)39)19-13-24(35(3)16-19)31-34-28-22(32)7-6-8-25(28)41-31;1-16-7-9-17(10-8-16)26-25(29(37)31-2)20-13-19(22(14-24(20)40-26)35(3)42(4,38)39)18-12-21(28(36)33-15-18)30-34-27-23(41-30)6-5-11-32-27;1-17-8-10-18(11-9-17)27-26(29(36)31-2)21-14-20(22(15-25(21)39-27)35(4)41(5,37)38)19-13-23(34(3)16-19)30-33-28-24(40-30)7-6-12-32-28/h4,6-7,9-12,14-17H,5,8,13H2,1-3H3,(H,36,41);7-10,13-17H,3-6,11-12H2,1-2H3,(H,36,41);5-15H,1-4H3,(H,33,38)(H,34,37);6-16H,1-5H3,(H,33,37);5-15H,1-4H3,(H,31,37)(H,33,36);6-16H,1-5H3,(H,31,36)
InChIKeyHNYIAQSNWBYBCI-UHFFFAOYSA-N
XLogP36.10
TPSA722.99 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003529.83
LogP ≤ 536.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-[4-methoxy-3-[5-[4-methoxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzoxazol-2-yl]phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123270740
2-[4-[4-[2-(cyclopenten-1-yl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-13-yl]cyclopenten-1-yl]-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)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123456428
2-(1-bicyclo[3.1.0]hexanyl)-5-[15-fluoro-13-[3-[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)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-2-yl]cyclopent-3-en-1-yl]-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]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123721594
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-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;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)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide
CID 144679879
5-[5-(1-benzofuran-2-yl)-2-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(1-benzothiophen-2-yl)-5-fluoropyrimidin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(1-benzothiophen-2-yl)-5-methoxypyrimidin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 157339659
CID 157504898
CID 157504898
5-[2-(1-benzofuran-2-yl)-6-methoxy-4-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[2-(1-benzofuran-2-yl)-5-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[2-(1-benzofuran-2-yl)-3-methyl-4-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[2-(1-benzofuran-2-yl)-4-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 157756955
CID 158526395
CID 158526395
5-[3-(3,5-difluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[9-[4-(trifluoromethoxy)phenyl]purin-2-yl]-1-benzofuran-3-carboxamide
CID 158802591
CID 158905190
CID 158905190
CID 158981263
CID 158981263
CID 159243107
CID 159243107

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide (CID 158535993) is 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3c[nH]c(=O)c(-c4nc5c(F)cccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3c[nH]c(=O)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5c(F)cccc5o4)n(C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)n(C)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cnc(OC)c(-c4nc5c(F)cccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cncc(-c4nc5c(s4)CCCC5(F)F)c3)cc12.
What is the InChIKey of 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is HNYIAQSNWBYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27FN4O5.C33H28F2N4O3S.C31H25FN4O6S.C31H27FN4O5S.C30H25N5O6S.C30H27N5O5S/c1-18-9-11-19(12-10-18)31-29(32(41)36-2)22-15-21(25(16-27(22)43-31)39-13-5-8-28(39)40)20-14-23(33(42-3)37-17-20)34-38-30-24(35)6-4-7-26(30)44-34;1-18-7-9-19(10-8-18)29-28(31(41)36-2)23-14-22(24(15-25(23)42-29)39-12-4-6-27(39)40)20-13-21(17-37-16-20)32-38-30-26(43-32)5-3-11-33(30,34)35;1-16-8-10-17(11-9-16)28-26(30(38)33-2)20-13-19(23(14-25(20)41-28)36(3)43(4,39)40)18-12-21(29(37)34-15-18)31-35-27-22(32)6-5-7-24(27)42-31;1-17-9-11-18(12-10-17)29-27(30(37)33-2)21-14-20(23(15-26(21)40-29)36(4)42(5,38)39)19-13-24(35(3)16-19)31-34-28-22(32)7-6-8-25(28)41-31;1-16-7-9-17(10-8-16)26-25(29(37)31-2)20-13-19(22(14-24(20)40-26)35(3)42(4,38)39)18-12-21(28(36)33-15-18)30-34-27-23(41-30)6-5-11-32-27;1-17-8-10-18(11-9-17)27-26(29(36)31-2)21-14-20(22(15-25(21)39-27)35(4)41(5,37)38)19-13-23(34(3)16-19)30-33-28-24(40-30)7-6-12-32-28/h4,6-7,9-12,14-17H,5,8,13H2,1-3H3,(H,36,41);7-10,13-17H,3-6,11-12H2,1-2H3,(H,36,41);5-15H,1-4H3,(H,33,38)(H,34,37);6-16H,1-5H3,(H,33,37);5-15H,1-4H3,(H,31,37)(H,33,36);6-16H,1-5H3,(H,31,36).
What are the key properties of 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide?
5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 3529.83 g/mol, XLogP of 36.10, 35 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158535993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).