C208H291ClN38O40S13 — CID 157408968
N-[4-(benzenesulfonamido)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N'-propan-2-ylsulfonylpentanediamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 157408968) has the molecular formula C208H291ClN38O40S13 and a molecular weight of 4416.17 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N'-propan-2-ylsulfonylpentanediamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
| Compound Name | N-[4-(benzenesulfonamido)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N'-propan-2-ylsulfonylpentanediamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 157408968 |
| Molecular Formula | C208H291ClN38O40S13 |
| Molecular Weight | 4416.17 g/mol |
| Exact Mass | 4411.80 |
| IUPAC Name | N-[4-(benzenesulfonamido)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N'-propan-2-ylsulfonylpentanediamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(5-methyl-2-oxochromen-6-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[5-(2-methylphenyl)pyrazin-2-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(1-methyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide |
| SMILES | CC(C)S(=O)(=O)N1CCC(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.CC(C)S(=O)(=O)NC(=O)CCCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3nnnn3-c3ccccc3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3nnnn3C)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1.Cc1c(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc2oc(=O)ccc12.Cc1cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1.Cc1ccccc1-c1cnc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cn1 |
| InChI | InChI=1S/C28H38ClN3O4S.C23H28N6O3S.C22H29N3O5S2.C22H35N3O4S.C20H27N5O3S.C20H31N3O5S.C20H26N2O5S.C18H26N6O3S.C18H24N4O3S2.C17H27N3O5S2/c1-19(2)37(35,36)31-24-10-4-21(5-11-24)27(33)30-26-13-12-25(18-20(26)3)32-16-14-28(34,15-17-32)22-6-8-23(29)9-7-22;1-16(2)33(31,32)26-20-14-10-18(11-15-20)23(30)24-19-12-8-17(9-13-19)22-25-27-28-29(22)21-6-4-3-5-7-21;1-16(2)31(27,28)24-19-10-8-17(9-11-19)22(26)23-18-12-14-20(15-13-18)25-32(29,30)21-6-4-3-5-7-21;1-16(2)30(27,28)25-11-9-19(10-12-25)13-22(26)23-20-5-7-21(8-6-20)24-14-17(3)29-18(4)15-24;1-14(2)29(27,28)24-16-8-10-25(11-9-16)20(26)23-19-13-21-18(12-22-19)17-7-5-4-6-15(17)3;1-14(2)29(26,27)22-20(25)7-5-6-19(24)21-17-8-10-18(11-9-17)23-12-15(3)28-16(4)13-23;1-12(2)28(25,26)22-15-6-4-14(5-7-15)20(24)21-17-9-10-18-16(13(17)3)8-11-19(23)27-18;1-12(2)28(26,27)21-16-10-6-14(7-11-16)18(25)19-15-8-4-13(5-9-15)17-20-22-23-24(17)3;1-12(2)27(24,25)22-15-10-8-13(9-11-15)16(23)19-18-21-20-17(26-18)14-6-4-3-5-7-14;1-12(2)27(24,25)20-16-6-4-13(5-7-16)17(21)18-14-8-10-15(11-9-14)19-26(3,22)23/h6-9,12-13,18-19,21,24,31,34H,4-5,10-11,14-17H2,1-3H3,(H,30,33);3-9,12-13,16,18,20,26H,10-11,14-15H2,1-2H3,(H,24,30);3-7,12-17,19,24-25H,8-11H2,1-2H3,(H,23,26);5-8,16-19H,9-15H2,1-4H3,(H,23,26);4-7,12-14,16,24H,8-11H2,1-3H3,(H,22,23,26);8-11,14-16H,5-7,12-13H2,1-4H3,(H,21,24)(H,22,25);8-12,14-15,22H,4-7H2,1-3H3,(H,21,24);4-5,8-9,12,14,16,21H,6-7,10-11H2,1-3H3,(H,19,25);3-7,12-13,15,22H,8-11H2,1-2H3,(H,19,21,23);8-13,16,19-20H,4-7H2,1-3H3,(H,18,21)/t;;;17-,18+;;15-,16+;;;; |
| InChIKey | BOBCBUQSDQSOFR-IJBIOAPVSA-N |
| XLogP | 29.09 |
| TPSA | 1073.94 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 300 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4416.17 |
| LogP ≤ 5 | 29.09 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 56 |