C145H225N11O25S7 — CID 157273891
N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 157273891) has the molecular formula C145H225N11O25S7 and a molecular weight of 2746.92 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone.
| Compound Name | N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone |
|---|---|
| PubChem CID | 157273891 |
| Molecular Formula | C145H225N11O25S7 |
| Molecular Weight | 2746.92 g/mol |
| Exact Mass | 2744.47 |
| IUPAC Name | N-butan-2-yl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-tert-butyl-4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide;N-[4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]cyclohexanecarboxamide;2-[3-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1-cyclohexylethanone;4-[2-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]-2,3,5-trimethyl-N-propan-2-ylbenzamide;1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3-piperidin-1-ylsulfonylphenyl)ethanone |
| SMILES | CC(C)(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(CC(=O)C3CCCCC3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCN(C(=O)Cc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.CCC(C)NC(=O)c1ccc(CC(=O)N2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.Cc1cc(C(=O)NC(C)C)c(C)c(C)c1CC(=O)N1CCC(CS(=O)(=O)C(C)(C)C)CC1 |
| InChI | InChI=1S/C26H39NO4S.C25H38N2O4S.C25H40N2O4S.C23H36N2O5S2.2C23H36N2O4S/c1-26(2,3)32(30,31)19-20-12-14-27(15-13-20)25(29)18-22-9-7-8-21(16-22)17-24(28)23-10-5-4-6-11-23;1-25(2,3)32(30,31)18-20-13-15-27(16-14-20)23(28)17-19-9-11-22(12-10-19)26-24(29)21-7-5-4-6-8-21;1-16(2)26-24(29)22-13-17(3)21(18(4)19(22)5)14-23(28)27-11-9-20(10-12-27)15-32(30,31)25(6,7)8;1-23(2,3)31(27,28)18-19-10-14-24(15-11-19)22(26)17-20-8-7-9-21(16-20)32(29,30)25-12-5-4-6-13-25;1-22(2,3)24-21(27)19-9-7-17(8-10-19)15-20(26)25-13-11-18(12-14-25)16-30(28,29)23(4,5)6;1-6-17(2)24-22(27)20-9-7-18(8-10-20)15-21(26)25-13-11-19(12-14-25)16-30(28,29)23(3,4)5/h7-9,16,20,23H,4-6,10-15,17-19H2,1-3H3;9-12,20-21H,4-8,13-18H2,1-3H3,(H,26,29);13,16,20H,9-12,14-15H2,1-8H3,(H,26,29);7-9,16,19H,4-6,10-15,17-18H2,1-3H3;7-10,18H,11-16H2,1-6H3,(H,24,27);7-10,17,19H,6,11-16H2,1-5H3,(H,24,27) |
| InChIKey | AYVZKINLECMPDX-UHFFFAOYSA-N |
| XLogP | 21.59 |
| TPSA | 497.55 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2746.92 |
| LogP ≤ 5 | 21.59 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |