C157H169N21O28S11 — CID 159836697
bis(7-benzamido-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide);N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-2-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]quinoxaline-2-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(methylamino)-1-benzothiophene-2-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-methyl-1H-indole-2-carboxamide (PubChem CID 159836697) has the molecular formula C157H169N21O28S11 and a molecular weight of 3150.93 g/mol. Its IUPAC name is bis(7-benzamido-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide);N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-2-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]quinoxaline-2-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(methylamino)-1-benzothiophene-2-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-methyl-1H-indole-2-carboxamide.
| Compound Name | bis(7-benzamido-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide);N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-2-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]quinoxaline-2-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(methylamino)-1-benzothiophene-2-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-methyl-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159836697 |
| Molecular Formula | C157H169N21O28S11 |
| Molecular Weight | 3150.93 g/mol |
| Exact Mass | 3147.94 |
| IUPAC Name | bis(7-benzamido-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide);N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-2-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]quinoxaline-2-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(methylamino)-1-benzothiophene-2-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-methyl-1H-indole-2-carboxamide |
| SMILES | CNc1cccc2cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)sc12.COc1c(NC(=O)c2cc3cccc(C)c3[nH]2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccccc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccccc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccccn4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4cnc5ccccc5n4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O |
| InChI | InChI=1S/C30H29N5O5S2.2C28H29N3O5S2.C27H28N4O5S2.C22H27N3O4S2.C22H27N3O4S/c1-30(2,3)18-14-22(26(40-4)23(15-18)35-42(5,38)39)34-29(37)25-13-17-9-8-12-21(27(17)41-25)33-28(36)24-16-31-19-10-6-7-11-20(19)32-24;2*1-28(2,3)19-15-21(24(36-4)22(16-19)31-38(5,34)35)30-27(33)23-14-18-12-9-13-20(25(18)37-23)29-26(32)17-10-7-6-8-11-17;1-27(2,3)17-14-20(23(36-4)21(15-17)31-38(5,34)35)30-26(33)22-13-16-9-8-11-18(24(16)37-22)29-25(32)19-10-6-7-12-28-19;1-22(2,3)14-11-16(19(29-5)17(12-14)25-31(6,27)28)24-21(26)18-10-13-8-7-9-15(23-4)20(13)30-18;1-13-8-7-9-14-10-18(23-19(13)14)21(26)24-16-11-15(22(2,3)4)12-17(20(16)29-5)25-30(6,27)28/h6-16,35H,1-5H3,(H,33,36)(H,34,37);2*6-16,31H,1-5H3,(H,29,32)(H,30,33);6-15,31H,1-5H3,(H,29,32)(H,30,33);7-12,23,25H,1-6H3,(H,24,26);7-12,23,25H,1-6H3,(H,24,26) |
| InChIKey | NODXULAECHVLCV-UHFFFAOYSA-N |
| XLogP | 32.95 |
| TPSA | 689.89 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3150.93 |
| LogP ≤ 5 | 32.95 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 37 |