C123H174FN31O21S10 — CID 161447413
N-(2,1,3-benzothiadiazol-4-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-1-yl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-phenylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1,3,5-triazin-2-yl)piperidine-1-carboxamide (PubChem CID 161447413) has the molecular formula C123H174FN31O21S10 and a molecular weight of 2762.61 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-1-yl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-phenylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1,3,5-triazin-2-yl)piperidine-1-carboxamide.
| Compound Name | N-(2,1,3-benzothiadiazol-4-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-1-yl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-phenylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1,3,5-triazin-2-yl)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 161447413 |
| Molecular Formula | C123H174FN31O21S10 |
| Molecular Weight | 2762.61 g/mol |
| Exact Mass | 2760.07 |
| IUPAC Name | N-(2,1,3-benzothiadiazol-4-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9H-fluoren-1-yl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-phenylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpiperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1,3,5-triazin-2-yl)piperidine-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3scnc3c2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc3c2Cc2ccccc2-3)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc3nsnc23)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ncccn2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ncncn2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)CC1 |
| InChI | InChI=1S/C23H29N3O3S.C22H29N3O3S.C18H24FN5O3S2.C17H24N4O3S2.C16H23N5O3S2.C14H23N5O3S.C13H22N6O3S/c1-23(2,3)30(28,29)25-17-11-13-26(14-12-17)22(27)24-21-10-6-9-19-18-8-5-4-7-16(18)15-20(19)21;1-22(2,3)29(27,28)24-20-13-15-25(16-14-20)21(26)23-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-18(2,3)29(26,27)23-14-8-10-24(11-9-14)17(25)20-16-22-21-15(28-16)12-4-6-13(19)7-5-12;1-17(2,3)26(23,24)20-12-6-8-21(9-7-12)16(22)19-13-4-5-15-14(10-13)18-11-25-15;1-16(2,3)26(23,24)20-11-7-9-21(10-8-11)15(22)17-12-5-4-6-13-14(12)19-25-18-13;1-14(2,3)23(21,22)18-11-5-9-19(10-6-11)13(20)17-12-15-7-4-8-16-12;1-13(2,3)23(21,22)18-10-4-6-19(7-5-10)12(20)17-11-15-8-14-9-16-11/h4-10,17,25H,11-15H2,1-3H3,(H,24,27);4-12,20,24H,13-16H2,1-3H3,(H,23,26);4-7,14,23H,8-11H2,1-3H3,(H,20,22,25);4-5,10-12,20H,6-9H2,1-3H3,(H,19,22);4-6,11,20H,7-10H2,1-3H3,(H,17,22);4,7-8,11,18H,5-6,9-10H2,1-3H3,(H,15,16,17,20);8-10,18H,4-7H2,1-3H3,(H,14,15,16,17,20) |
| InChIKey | WABOAYQJFMAYTD-UHFFFAOYSA-N |
| XLogP | 18.29 |
| TPSA | 678.47 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2762.61 |
| LogP ≤ 5 | 18.29 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 34 |