C222H325N37O33S11Si2 — CID 158692607
N-(4-anilinophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 158692607) has the molecular formula C222H325N37O33S11Si2 and a molecular weight of 4449.18 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide.
| Compound Name | N-(4-anilinophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 158692607 |
| Molecular Formula | C222H325N37O33S11Si2 |
| Molecular Weight | 4449.18 g/mol |
| Exact Mass | 4445.14 |
| IUPAC Name | N-(4-anilinophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;(2S)-1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidine-2-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(tetrazol-2-yl)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3csnn3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-n3ncnn3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ccc3c2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1.CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1 |
| InChI | InChI=1S/C33H63N3O5SSi2.C25H33N3O3S.C25H31N3O3S.C23H31N3O3S.C22H34N4O4S.C20H28N4O3S.C19H26N4O3S2.C19H27N3O3S.C18H26N6O3S.C18H26N4O3S/c1-31(2,3)42(38,39)35-28-16-14-26(15-17-28)30(37)34-27-18-20-29(21-19-27)36(22-24-40-43(10,11)32(4,5)6)23-25-41-44(12,13)33(7,8)9;2*1-25(2,3)32(30,31)27-21-10-8-19(9-11-21)24(29)26-20-12-14-22(15-13-20)28-17-16-18-6-4-5-7-23(18)28;1-23(2,3)30(28,29)26-21-11-9-17(10-12-21)22(27)25-20-15-13-19(14-16-20)24-18-7-5-4-6-8-18;1-22(2,3)31(29,30)25-17-8-6-15(7-9-17)21(28)24-16-10-12-18(13-11-16)26-14-4-5-19(26)20(23)27;1-20(2,3)28(26,27)23-17-7-5-15(6-8-17)19(25)22-16-9-11-18(12-10-16)24-14-4-13-21-24;1-19(2,3)28(25,26)22-16-10-6-14(7-11-16)18(24)20-15-8-4-13(5-9-15)17-12-27-23-21-17;1-19(2,3)26(24,25)22-15-6-4-13(5-7-15)18(23)21-16-8-9-17-14(12-16)10-11-20-17;1-18(2,3)28(26,27)22-15-6-4-13(5-7-15)17(25)21-14-8-10-16(11-9-14)24-20-12-19-23-24;1-18(2,3)26(24,25)22-14-6-4-12(5-7-14)17(23)20-15-8-9-16-13(10-15)11-19-21-16/h18-21,26,28,35H,14-17,22-25H2,1-13H3,(H,34,37);4-7,12-15,19,21,27H,8-11,16-17H2,1-3H3,(H,26,29);4-7,12-17,19,21,27H,8-11H2,1-3H3,(H,26,29);4-8,13-17,21,24,26H,9-12H2,1-3H3,(H,25,27);10-13,15,17,19,25H,4-9,14H2,1-3H3,(H2,23,27)(H,24,28);4,9-15,17,23H,5-8H2,1-3H3,(H,22,25);4-5,8-9,12,14,16,22H,6-7,10-11H2,1-3H3,(H,20,24);8-13,15,20,22H,4-7H2,1-3H3,(H,21,23);8-13,15,22H,4-7H2,1-3H3,(H,21,25);8-12,14,22H,4-7H2,1-3H3,(H,19,21)(H,20,23)/t;;;;15?,17?,19-;;;;;/m....0...../s1 |
| InChIKey | IGNRRFBWAPQFBF-FIOSFOJUSA-N |
| XLogP | 38.74 |
| TPSA | 972.60 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 305 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4449.18 |
| LogP ≤ 5 | 38.74 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 48 |