C107H114N24O24S5 — CID 158716915
N-hydroxy-2-[4-methyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyridine-3-carboxamide;N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyridine-3-carboxamide;N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 158716915) has the molecular formula C107H114N24O24S5 and a molecular weight of 2280.57 g/mol. Its IUPAC name is N-hydroxy-2-[4-methyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyridine-3-carboxamide;N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyridine-3-carboxamide;N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide.
| Compound Name | N-hydroxy-2-[4-methyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyridine-3-carboxamide;N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyridine-3-carboxamide;N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 158716915 |
| Molecular Formula | C107H114N24O24S5 |
| Molecular Weight | 2280.57 g/mol |
| Exact Mass | 2278.70 |
| IUPAC Name | N-hydroxy-2-[4-methyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyridine-3-carboxamide;N-hydroxy-2-[2-[(naphthalen-2-ylsulfonylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyridine-3-carboxamide;N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide |
| SMILES | CN1CCN(c2ncc(C(=O)NO)cn2)CC1CNS(=O)(=O)c1ccc2ccccc2c1.O=C(NO)c1ccc(N2CCOC(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1ccc(N2CCOC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCOC(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1cnc(N2CCOC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1 |
| InChI | InChI=1S/C23H24N4O5S.C22H23N5O5S.C21H24N6O4S.C21H22N4O5S.C20H21N5O5S/c28-23(26-29)19-8-11-22(24-14-19)27-12-13-32-20(16-27)15-25-33(30,31)21-9-6-18(7-10-21)17-4-2-1-3-5-17;28-21(26-29)18-12-23-22(24-13-18)27-10-11-32-19(15-27)14-25-33(30,31)20-8-6-17(7-9-20)16-4-2-1-3-5-16;1-26-8-9-27(21-22-11-17(12-23-21)20(28)25-29)14-18(26)13-24-32(30,31)19-7-6-15-4-2-3-5-16(15)10-19;26-21(24-27)17-6-8-20(22-12-17)25-9-10-30-18(14-25)13-23-31(28,29)19-7-5-15-3-1-2-4-16(15)11-19;26-19(24-27)16-10-21-20(22-11-16)25-7-8-30-17(13-25)12-23-31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-11,14,20,25,29H,12-13,15-16H2,(H,26,28);1-9,12-13,19,25,29H,10-11,14-15H2,(H,26,28);2-7,10-12,18,24,29H,8-9,13-14H2,1H3,(H,25,28);1-8,11-12,18,23,27H,9-10,13-14H2,(H,24,26);1-6,9-11,17,23,27H,7-8,12-13H2,(H,24,26) |
| InChIKey | IJKSNNYPMDRNJE-UHFFFAOYSA-N |
| XLogP | 6.82 |
| TPSA | 636.98 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2280.57 |
| LogP ≤ 5 | 6.82 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|