C217H321ClN36O34S11 — CID 159712316
N-(4-aminophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;(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-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indazol-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-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide;chloromethane (PubChem CID 159712316) has the molecular formula C217H321ClN36O34S11 and a molecular weight of 4366.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;(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-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indazol-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-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide;chloromethane.
| Compound Name | N-(4-aminophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;(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-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indazol-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-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide;chloromethane |
|---|---|
| PubChem CID | 159712316 |
| Molecular Formula | C217H321ClN36O34S11 |
| Molecular Weight | 4366.36 g/mol |
| Exact Mass | 4362.11 |
| IUPAC Name | N-(4-aminophenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(3S)-3-aminopyrrolidin-1-yl]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;tert-butyl N-[1-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate;(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-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(1H-indazol-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-(thiadiazol-4-yl)phenyl]cyclohexane-1-carboxamide;chloromethane |
| SMILES | CC(C)(C)OC(=O)NC1CCN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C1.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(N)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(N3CC[C@H](N)C3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1.CCl.C[C@@H]1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C[C@H](C)O1 |
| InChI | InChI=1S/C26H42N4O5S.C25H33N3O3S.C25H31N3O3S.C23H37N3O4S.C22H34N4O4S.C21H34N4O3S.C20H28N4O3S.C19H26N4O3S2.C18H26N4O3S.C17H27N3O3S.CH3Cl/c1-25(2,3)35-24(32)28-21-15-16-30(17-21)22-13-11-19(12-14-22)27-23(31)18-7-9-20(10-8-18)29-36(33,34)26(4,5)6;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;1-16-14-26(15-17(2)30-16)21-12-10-19(11-13-21)24-22(27)18-6-8-20(9-7-18)25-31(28,29)23(3,4)5;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;1-21(2,3)29(27,28)24-18-6-4-15(5-7-18)20(26)23-17-8-10-19(11-9-17)25-13-12-16(22)14-25;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;1-18(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;1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14;1-2/h11-14,18,20-21,29H,7-10,15-17H2,1-6H3,(H,27,31)(H,28,32);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);10-13,16-18,20,25H,6-9,14-15H2,1-5H3,(H,24,27);10-13,15,17,19,25H,4-9,14H2,1-3H3,(H2,23,27)(H,24,28);8-11,15-16,18,24H,4-7,12-14,22H2,1-3H3,(H,23,26);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);8-12,14,22H,4-7H2,1-3H3,(H,19,21)(H,20,23);6-7,10-12,15,20H,4-5,8-9,18H2,1-3H3,(H,19,21);1H3/t;;;16-,17+,18?,20?;15?,17?,19-;15?,16-,18?;;;;;/m....00...../s1 |
| InChIKey | MYZMQEWTVHRQAH-HSNBOBLESA-N |
| XLogP | 34.38 |
| TPSA | 988.80 Ų |
| H-Bond Donors | 25 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 299 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4366.36 |
| LogP ≤ 5 | 34.38 |
| H-Bond Donors ≤ 5 | 25 |
| H-Bond Acceptors ≤ 10 | 48 |