C133H174N12O25S7 — CID 159026718
cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)cyclohexyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)-5-(phenoxymethyl)phenyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)phenyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-(2-phenoxyphenyl)sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-(2-acetamidophenyl)sulfonyl-1-tert-butyl-2-ethenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-(2-aminophenyl)sulfonyl-1-tert-butyl-2-ethenylcyclopropane-1-carboxamide;trans-(1S,2S)-1-tert-butyl-2-ethenyl-N-(4-phenylmethoxyphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 159026718) has the molecular formula C133H174N12O25S7 and a molecular weight of 2565.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)cyclohexyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)-5-(phenoxymethyl)phenyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)phenyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-(2-phenoxyphenyl)sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-(2-acetamidophenyl)sulfonyl-1-tert-butyl-2-ethenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-(2-aminophenyl)sulfonyl-1-tert-butyl-2-ethenylcyclopropane-1-carboxamide;trans-(1S,2S)-1-tert-butyl-2-ethenyl-N-(4-phenylmethoxyphenyl)sulfonylcyclopropane-1-carboxamide.
| Compound Name | cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)cyclohexyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)-5-(phenoxymethyl)phenyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)phenyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-(2-phenoxyphenyl)sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-(2-acetamidophenyl)sulfonyl-1-tert-butyl-2-ethenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-(2-aminophenyl)sulfonyl-1-tert-butyl-2-ethenylcyclopropane-1-carboxamide;trans-(1S,2S)-1-tert-butyl-2-ethenyl-N-(4-phenylmethoxyphenyl)sulfonylcyclopropane-1-carboxamide |
|---|---|
| PubChem CID | 159026718 |
| Molecular Formula | C133H174N12O25S7 |
| Molecular Weight | 2565.38 g/mol |
| Exact Mass | 2563.08 |
| IUPAC Name | cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)cyclohexyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)-5-(phenoxymethyl)phenyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-[2-(methylamino)phenyl]sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;cis-(1R,2S)-2-ethenyl-N-(2-phenoxyphenyl)sulfonyl-1-propan-2-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-(2-acetamidophenyl)sulfonyl-1-tert-butyl-2-ethenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-(2-aminophenyl)sulfonyl-1-tert-butyl-2-ethenylcyclopropane-1-carboxamide;trans-(1S,2S)-1-tert-butyl-2-ethenyl-N-(4-phenylmethoxyphenyl)sulfonylcyclopropane-1-carboxamide |
| SMILES | C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C1CCCCC1NC)C(C)C.C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1cc(COc2ccccc2)ccc1NC)C(C)C.C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1)C(C)(C)C.C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1ccccc1N)C(C)(C)C.C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1ccccc1NC(C)=O)C(C)(C)C.C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1ccccc1NC)C(C)C.C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1ccccc1Oc1ccccc1)C(C)C |
| InChI | InChI=1S/C23H28N2O4S.C23H27NO4S.C21H23NO4S.C18H24N2O4S.C16H22N2O3S.C16H28N2O3S.C16H22N2O3S/c1-5-18-14-23(18,16(2)3)22(26)25-30(27,28)21-13-17(11-12-20(21)24-4)15-29-19-9-7-6-8-10-19;1-5-18-15-23(18,22(2,3)4)21(25)24-29(26,27)20-13-11-19(12-14-20)28-16-17-9-7-6-8-10-17;1-4-16-14-21(16,15(2)3)20(23)22-27(24,25)19-13-9-8-12-18(19)26-17-10-6-5-7-11-17;1-6-13-11-18(13,17(3,4)5)16(22)20-25(23,24)15-10-8-7-9-14(15)19-12(2)21;1-5-11-10-16(11,15(2,3)4)14(19)18-22(20,21)13-9-7-6-8-12(13)17;2*1-5-12-10-16(12,11(2)3)15(19)18-22(20,21)14-9-7-6-8-13(14)17-4/h5-13,16,18,24H,1,14-15H2,2-4H3,(H,25,26);5-14,18H,1,15-16H2,2-4H3,(H,24,25);4-13,15-16H,1,14H2,2-3H3,(H,22,23);6-10,13H,1,11H2,2-5H3,(H,19,21)(H,20,22);5-9,11H,1,10,17H2,2-4H3,(H,18,19);5,11-14,17H,1,6-10H2,2-4H3,(H,18,19);5-9,11-12,17H,1,10H2,2-4H3,(H,18,19)/t2*18-,23-;16-,21-;13-,18-;11-,16-;12-,13?,14?,16-;12-,16-/m1111111/s1 |
| InChIKey | JUJFWMROQZAKHL-IFYMSFPZSA-N |
| XLogP | 21.59 |
| TPSA | 561.58 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2565.38 |
| LogP ≤ 5 | 21.59 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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