5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

C190H168FN25O29S12 — CID 159957764

IUPAC5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5c(F)cccc5s4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ccncc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5cnccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5cncnc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ncccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4nc5c(s4)COC(C)(C)C5)c3)cc12
InChIInChI=1S/C32H32N4O5S2.3C32H28N4O5S2.C31H25FN4O4S2.C31H27N5O5S2/c1-18-7-9-19(10-8-18)29-28(30(37)33-4)23-12-22(25(13-26(23)41-29)36(5)43(6,38)39)20-11-21(16-34-15-20)31-35-24-14-32(2,3)40-17-27(24)42-31;1-18-6-8-19(9-7-18)30-29(31(37)33-2)23-14-22(25(15-26(23)41-30)36(3)43(5,38)39)20-12-24(32(40-4)35-17-20)28-13-21-16-34-11-10-27(21)42-28;1-18-6-8-19(9-7-18)30-29(31(37)33-2)23-14-22(25(15-26(23)41-30)36(3)43(5,38)39)21-12-24(32(40-4)35-16-21)27-13-20-10-11-34-17-28(20)42-27;1-18-8-10-19(11-9-18)30-29(31(37)33-2)22-14-21(25(16-26(22)41-30)36(3)43(5,38)39)20-13-23(32(40-4)35-17-20)28-15-24-27(42-28)7-6-12-34-24;1-17-8-10-18(11-9-17)29-27(30(37)33-2)21-15-20(24(16-25(21)40-29)36(3)42(4,38)39)23-14-19(12-13-34-23)31-35-28-22(32)6-5-7-26(28)41-31;1-17-6-8-18(9-7-17)28-27(29(37)32-2)22-12-21(24(13-25(22)41-28)36(3)43(5,38)39)19-10-23(30(40-4)34-15-19)26-11-20-14-33-16-35-31(20)42-26/h7-13,15-16H,14,17H2,1-6H3,(H,33,37);3*6-17H,1-5H3,(H,33,37);5-16H,1-4H3,(H,33,37);6-16H,1-5H3,(H,32,37)
InChIKeyOCXWSJIXPCWEPN-UHFFFAOYSA-N
MW3669.38 g/mol
LogP38.28
Rot. Bonds40

About 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 159957764) has the molecular formula C190H168FN25O29S12 and a molecular weight of 3669.38 g/mol. Its IUPAC name is 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
PubChem CID159957764
Molecular FormulaC190H168FN25O29S12
Molecular Weight3669.38 g/mol
Exact Mass3665.91
IUPAC Name5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5c(F)cccc5s4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ccncc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5cnccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5cncnc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ncccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4nc5c(s4)COC(C)(C)C5)c3)cc12
InChIInChI=1S/C32H32N4O5S2.3C32H28N4O5S2.C31H25FN4O4S2.C31H27N5O5S2/c1-18-7-9-19(10-8-18)29-28(30(37)33-4)23-12-22(25(13-26(23)41-29)36(5)43(6,38)39)20-11-21(16-34-15-20)31-35-24-14-32(2,3)40-17-27(24)42-31;1-18-6-8-19(9-7-18)30-29(31(37)33-2)23-14-22(25(15-26(23)41-30)36(3)43(5,38)39)20-12-24(32(40-4)35-17-20)28-13-21-16-34-11-10-27(21)42-28;1-18-6-8-19(9-7-18)30-29(31(37)33-2)23-14-22(25(15-26(23)41-30)36(3)43(5,38)39)21-12-24(32(40-4)35-16-21)27-13-20-10-11-34-17-28(20)42-27;1-18-8-10-19(11-9-18)30-29(31(37)33-2)22-14-21(25(16-26(22)41-30)36(3)43(5,38)39)20-13-23(32(40-4)35-17-20)28-15-24-27(42-28)7-6-12-34-24;1-17-8-10-18(11-9-17)29-27(30(37)33-2)21-15-20(24(16-25(21)40-29)36(3)42(4,38)39)23-14-19(12-13-34-23)31-35-28-22(32)6-5-7-26(28)41-31;1-17-6-8-18(9-7-17)28-27(29(37)32-2)22-12-21(24(13-25(22)41-28)36(3)43(5,38)39)19-10-23(30(40-4)34-15-19)26-11-20-14-33-16-35-31(20)42-26/h7-13,15-16H,14,17H2,1-6H3,(H,33,37);3*6-17H,1-5H3,(H,33,37);5-16H,1-4H3,(H,33,37);6-16H,1-5H3,(H,32,37)
InChIKeyOCXWSJIXPCWEPN-UHFFFAOYSA-N
XLogP38.28
TPSA691.44 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds40
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003669.38
LogP ≤ 538.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Analyze 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide
CID 77845417
2-(4-fluorophenyl)-5-[4-methoxy-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239427
2-(4-fluorophenyl)-5-[3-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239710
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71141978
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71141996
2-(4-fluorophenyl)-5-[4-fluoro-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71142018
2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509258
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide
CID 71509402
2-(4-fluorophenyl)-5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509685
2-(2-ethylthiazol-5-yl)-5-(11-fluoropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318752
6-(ethylsulfonylamino)-2-(2-ethyl-1,3-thiazol-5-yl)-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-1-benzofuran-3-carboxamide
CID 118589302
2-[6-[[15-fluoro-4-[2-(4-fluoro-2-methylphenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-13-yl]methyl]-3-pyridinyl]-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-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123316711

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 159957764) is 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5c(F)cccc5s4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ccncc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5cnccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5cncnc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ncccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4nc5c(s4)COC(C)(C)C5)c3)cc12.
What is the InChIKey of 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The InChIKey is OCXWSJIXPCWEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O5S2.3C32H28N4O5S2.C31H25FN4O4S2.C31H27N5O5S2/c1-18-7-9-19(10-8-18)29-28(30(37)33-4)23-12-22(25(13-26(23)41-29)36(5)43(6,38)39)20-11-21(16-34-15-20)31-35-24-14-32(2,3)40-17-27(24)42-31;1-18-6-8-19(9-7-18)30-29(31(37)33-2)23-14-22(25(15-26(23)41-30)36(3)43(5,38)39)20-12-24(32(40-4)35-17-20)28-13-21-16-34-11-10-27(21)42-28;1-18-6-8-19(9-7-18)30-29(31(37)33-2)23-14-22(25(15-26(23)41-30)36(3)43(5,38)39)21-12-24(32(40-4)35-16-21)27-13-20-10-11-34-17-28(20)42-27;1-18-8-10-19(11-9-18)30-29(31(37)33-2)22-14-21(25(16-26(22)41-30)36(3)43(5,38)39)20-13-23(32(40-4)35-17-20)28-15-24-27(42-28)7-6-12-34-24;1-17-8-10-18(11-9-17)29-27(30(37)33-2)21-15-20(24(16-25(21)40-29)36(3)42(4,38)39)23-14-19(12-13-34-23)31-35-28-22(32)6-5-7-26(28)41-31;1-17-6-8-18(9-7-17)28-27(29(37)32-2)22-12-21(24(13-25(22)41-28)36(3)43(5,38)39)19-10-23(30(40-4)34-15-19)26-11-20-14-33-16-35-31(20)42-26/h7-13,15-16H,14,17H2,1-6H3,(H,33,37);3*6-17H,1-5H3,(H,33,37);5-16H,1-4H3,(H,33,37);6-16H,1-5H3,(H,32,37).
What are the key properties of 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 3669.38 g/mol, XLogP of 38.28, 40 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6,6-dimethyl-4,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzothiazol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-b]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(6-methoxy-5-thieno[2,3-d]pyrimidin-6-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 159957764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).