C128H198N22O42S12 — CID 158833459
N-[2-(benzenesulfonamido)ethylsulfonyl]-2-methylpropanamide;N-(4-cyclohexylbutylsulfonyl)-2-methylpropanamide;N-[2-(cyclohexylsulfonylamino)ethylsulfonyl]-2-methylpropanamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]benzamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]cyclohexanecarboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]naphthalene-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-4-carboxamide (PubChem CID 158833459) has the molecular formula C128H198N22O42S12 and a molecular weight of 3101.91 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethylsulfonyl]-2-methylpropanamide;N-(4-cyclohexylbutylsulfonyl)-2-methylpropanamide;N-[2-(cyclohexylsulfonylamino)ethylsulfonyl]-2-methylpropanamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]benzamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]cyclohexanecarboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]naphthalene-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-4-carboxamide.
| Compound Name | N-[2-(benzenesulfonamido)ethylsulfonyl]-2-methylpropanamide;N-(4-cyclohexylbutylsulfonyl)-2-methylpropanamide;N-[2-(cyclohexylsulfonylamino)ethylsulfonyl]-2-methylpropanamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]benzamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]cyclohexanecarboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]naphthalene-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158833459 |
| Molecular Formula | C128H198N22O42S12 |
| Molecular Weight | 3101.91 g/mol |
| Exact Mass | 3099.07 |
| IUPAC Name | N-[2-(benzenesulfonamido)ethylsulfonyl]-2-methylpropanamide;N-(4-cyclohexylbutylsulfonyl)-2-methylpropanamide;N-[2-(cyclohexylsulfonylamino)ethylsulfonyl]-2-methylpropanamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]benzamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]cyclohexanecarboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]naphthalene-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-4-carboxamide |
| SMILES | CC(C)C(=O)NS(=O)(=O)CCCCC1CCCCC1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)C1CCCCC1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccc2ccccc2c1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccccc1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccccn1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1cccnc1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccncc1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccoc1.CC(C)C(=O)NS(=O)(=O)CCNS(=O)(=O)C1CCCCC1.CC(C)C(=O)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 |
| InChI | InChI=1S/C17H20N2O4S.C14H27NO3S.C13H24N2O4S.C13H18N2O4S.3C12H17N3O4S.C12H24N2O5S2.C12H18N2O5S2.C11H16N2O5S/c1-12(2)16(20)19-24(22,23)10-9-18-17(21)15-8-7-13-5-3-4-6-14(13)11-15;1-12(2)14(16)15-19(17,18)11-7-6-10-13-8-4-3-5-9-13;2*1-10(2)12(16)15-20(18,19)9-8-14-13(17)11-6-4-3-5-7-11;1-9(2)11(16)15-20(18,19)8-7-14-12(17)10-3-5-13-6-4-10;1-9(2)11(16)15-20(18,19)7-6-14-12(17)10-4-3-5-13-8-10;1-9(2)11(16)15-20(18,19)8-7-14-12(17)10-5-3-4-6-13-10;2*1-10(2)12(15)14-20(16,17)9-8-13-21(18,19)11-6-4-3-5-7-11;1-8(2)10(14)13-19(16,17)6-4-12-11(15)9-3-5-18-7-9/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)(H,19,20);12-13H,3-11H2,1-2H3,(H,15,16);10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16);3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16);3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16);3-5,8-9H,6-7H2,1-2H3,(H,14,17)(H,15,16);3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16);10-11,13H,3-9H2,1-2H3,(H,14,15);3-7,10,13H,8-9H2,1-2H3,(H,14,15);3,5,7-8H,4,6H2,1-2H3,(H,12,15)(H,13,14) |
| InChIKey | IXIKLZGZLRQCBQ-UHFFFAOYSA-N |
| XLogP | 6.07 |
| TPSA | 980.25 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3101.91 |
| LogP ≤ 5 | 6.07 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 45 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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