C180H261F4N41O34S13 — CID 159285587
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-[4-(2,5-dihydropyrrol-1-yl)phenyl]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-[3-methoxy-4-(trifluoromethyl)phenyl]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;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 159285587) has the molecular formula C180H261F4N41O34S13 and a molecular weight of 4036.18 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-[4-(2,5-dihydropyrrol-1-yl)phenyl]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-[3-methoxy-4-(trifluoromethyl)phenyl]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;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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-[4-(2,5-dihydropyrrol-1-yl)phenyl]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-[3-methoxy-4-(trifluoromethyl)phenyl]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;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 159285587 |
| Molecular Formula | C180H261F4N41O34S13 |
| Molecular Weight | 4036.18 g/mol |
| Exact Mass | 4032.63 |
| 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-[4-(2,5-dihydropyrrol-1-yl)phenyl]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-[3-methoxy-4-(trifluoromethyl)phenyl]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;4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)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)Nc2ccc(N3CC=CC3)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.COc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc(OC)c1OC.COc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F |
| InChI | InChI=1S/C23H29N3O3S.C22H29N3O3S.C20H30N4O3S.C19H31N3O6S.C18H26F3N3O4S.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;1-20(2,3)28(26,27)22-17-10-14-24(15-11-17)19(25)21-16-6-8-18(9-7-16)23-12-4-5-13-23;1-19(2,3)29(24,25)21-13-7-9-22(10-8-13)18(23)20-14-11-15(26-4)17(28-6)16(12-14)27-5;1-17(2,3)29(26,27)23-12-7-9-24(10-8-12)16(25)22-13-5-6-14(18(19,20)21)15(11-13)28-4;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);4-9,17,22H,10-15H2,1-3H3,(H,21,25);11-13,21H,7-10H2,1-6H3,(H,20,23);5-6,11-12,23H,7-10H2,1-4H3,(H,22,25);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 | KZLVISQJRHUQFD-UHFFFAOYSA-N |
| XLogP | 26.92 |
| TPSA | 954.16 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 272 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4036.18 |
| LogP ≤ 5 | 26.92 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 48 |