C198H275F14N31O37S10 — CID 158395595
4-(tert-butylsulfonylamino)-N-(4-cyanophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylphenyl)benzamide;N-[4-(2,3-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;2,5-dimethyl-4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 158395595) has the molecular formula C198H275F14N31O37S10 and a molecular weight of 4268.20 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(4-cyanophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylphenyl)benzamide;N-[4-(2,3-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;2,5-dimethyl-4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
| Compound Name | 4-(tert-butylsulfonylamino)-N-(4-cyanophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylphenyl)benzamide;N-[4-(2,3-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;2,5-dimethyl-4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 158395595 |
| Molecular Formula | C198H275F14N31O37S10 |
| Molecular Weight | 4268.20 g/mol |
| Exact Mass | 4264.76 |
| IUPAC Name | 4-(tert-butylsulfonylamino)-N-(4-cyanophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylphenyl)benzamide;N-[4-(2,3-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;2,5-dimethyl-4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-fluoro-3-methylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CC1CC(C)CC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1.CC1CC(Oc2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC(C)O1.CC1CCCC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1C.CC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C(C)CC1NS(=O)(=O)C(C)C.COc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1F |
| InChI | InChI=1S/C24H25F3N4O5S.2C23H37N3O3S.C22H35N3O5S.C21H27N3O4S.C18H26F3N3O3S.C18H19N3O3S.C17H24F3N3O4S.C16H21F4N3O4S.C16H24FN3O3S/c1-14(2)37(35,36)29-16-9-11-30(12-10-16)23(34)28-17-5-8-19-20(13-17)22(33)31(21(19)32)18-6-3-15(4-7-18)24(25,26)27;1-16(2)30(28,29)25-22-9-11-26(12-10-22)23(27)24-21-7-5-19(6-8-21)20-14-17(3)13-18(4)15-20;1-16(2)30(28,29)25-21-12-14-26(15-13-21)23(27)24-20-10-8-19(9-11-20)22-7-5-6-17(3)18(22)4;1-15(2)31(27,28)24-19-9-11-25(12-10-19)22(26)23-18-5-7-20(8-6-18)30-21-13-16(3)29-17(4)14-21;1-21(2,3)29(26,27)23-17-9-7-16(8-10-17)20(25)22-18-5-4-6-19(15-18)24-11-13-28-14-12-24;1-11(2)28(26,27)23-16-9-13(4)24(10-12(16)3)17(25)22-15-7-5-14(6-8-15)18(19,20)21;1-18(2,3)25(23,24)21-16-10-6-14(7-11-16)17(22)20-15-8-4-13(12-19)5-9-15;1-11(2)28(25,26)22-12-6-8-23(9-7-12)16(24)21-13-4-5-14(17(18,19)20)15(10-13)27-3;1-10(2)28(25,26)22-11-5-7-23(8-6-11)15(24)21-12-3-4-13(17)14(9-12)27-16(18,19)20;1-11(2)24(22,23)19-13-6-8-20(9-7-13)16(21)18-14-4-5-15(17)12(3)10-14/h3-8,13-14,16,29H,9-12H2,1-2H3,(H,28,34);5-8,16-18,20,22,25H,9-15H2,1-4H3,(H,24,27);8-11,16-18,21-22,25H,5-7,12-15H2,1-4H3,(H,24,27);5-8,15-17,19,21,24H,9-14H2,1-4H3,(H,23,26);4-10,15,23H,11-14H2,1-3H3,(H,22,25);5-8,11-13,16,23H,9-10H2,1-4H3,(H,22,25);4-11,21H,1-3H3,(H,20,22);4-5,10-12,22H,6-9H2,1-3H3,(H,21,24);3-4,9-11,22H,5-8H2,1-2H3,(H,21,24);4-5,10-11,13,19H,6-9H2,1-3H3,(H,18,21) |
| InChIKey | GXMUOMFRSLNHTR-UHFFFAOYSA-N |
| XLogP | 35.15 |
| TPSA | 889.18 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 290 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4268.20 |
| LogP ≤ 5 | 35.15 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 39 |