C188H160N24O28S10 — CID 158806726
5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide (PubChem CID 158806726) has the molecular formula C188H160N24O28S10 and a molecular weight of 3524.16 g/mol. Its IUPAC name is 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide.
| Compound Name | 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide |
|---|---|
| PubChem CID | 158806726 |
| Molecular Formula | C188H160N24O28S10 |
| Molecular Weight | 3524.16 g/mol |
| Exact Mass | 3520.90 |
| IUPAC Name | 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide |
| SMILES | CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5s4)cnn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5cccnc5o4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cc5ccccc5s4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5ncccc5o4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3nc(-c4cc5ccccc5s4)cnc3OC)cc12 |
| InChI | InChI=1S/C33H29N3O5S2.C32H28N4O5S2.C32H27N3O4S2.C31H26N4O4S2.2C30H25N5O5S/c1-19-10-12-20(13-11-19)31-30(32(37)34-2)24-16-23(26(17-27(24)41-31)36(3)43(5,38)39)22-14-25(33(40-4)35-18-22)29-15-21-8-6-7-9-28(21)42-29;1-18-10-12-19(13-11-18)30-28(31(37)33-2)22-15-21(24(16-25(22)41-30)36(3)43(5,38)39)29-32(40-4)34-17-23(35-29)27-14-20-8-6-7-9-26(20)42-27;1-19-12-14-20(15-13-19)31-30(32(36)33-2)23-17-22(26(18-27(23)39-31)35(3)41(4,37)38)24-9-7-10-25(34-24)29-16-21-8-5-6-11-28(21)40-29;1-18-9-11-19(12-10-18)30-29(31(36)32-2)23-15-22(25(16-26(23)39-30)35(3)41(4,37)38)24-13-21(17-33-34-24)28-14-20-7-5-6-8-27(20)40-28;1-17-10-12-18(13-11-17)27-26(29(36)31-2)20-15-19(23(16-25(20)39-27)35(3)41(4,37)38)21-7-5-8-22(33-21)30-34-28-24(40-30)9-6-14-32-28;1-17-7-9-18(10-8-17)27-26(28(36)31-2)21-15-20(24(16-25(21)39-27)35(3)41(4,37)38)23-14-19(11-13-32-23)29-34-22-6-5-12-33-30(22)40-29/h6-18H,1-5H3,(H,34,37);6-17H,1-5H3,(H,33,37);5-18H,1-4H3,(H,33,36);5-17H,1-4H3,(H,32,36);2*5-16H,1-4H3,(H,31,36) |
| InChIKey | IUDYMMOYEHDPQD-UHFFFAOYSA-N |
| XLogP | 38.09 |
| TPSA | 677.14 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 250 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3524.16 |
| LogP ≤ 5 | 38.09 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 44 |