C157H167N37O32S7 — CID 158953037
2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-methyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyridine-3-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide);N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 158953037) has the molecular formula C157H167N37O32S7 and a molecular weight of 3308.76 g/mol. Its IUPAC name is 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-methyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyridine-3-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide);N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide.
| Compound Name | 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-methyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyridine-3-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide);N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 158953037 |
| Molecular Formula | C157H167N37O32S7 |
| Molecular Weight | 3308.76 g/mol |
| Exact Mass | 3306.06 |
| IUPAC Name | 2-[4-benzyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-methyl-3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[3-[(naphthalen-2-ylsulfonylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-6-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyridine-3-carboxamide;bis(N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-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)c1cnc(N2CCN(Cc3ccccc3)C(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCNC(CNS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCOC(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1 |
| InChI | InChI=1S/C27H28N6O4S.C23H24N4O5S.3C22H23N5O5S.C21H24N6O4S.C20H22N6O4S/c34-26(31-35)23-15-28-27(29-16-23)33-13-12-32(18-20-6-2-1-3-7-20)24(19-33)17-30-38(36,37)25-11-10-21-8-4-5-9-22(21)14-25;28-23(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;3*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;27-19(25-28)16-10-22-20(23-11-16)26-8-7-21-17(13-26)12-24-31(29,30)18-6-5-14-3-1-2-4-15(14)9-18/h1-11,14-16,24,30,35H,12-13,17-19H2,(H,31,34);1-11,14,20,25,29H,12-13,15-16H2,(H,26,28);3*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);1-6,9-11,17,21,24,28H,7-8,12-13H2,(H,25,27)/t;;2*19-;;;/m..11.../s1 |
| InChIKey | JLRAGUVPEGUETH-FZDWPVJGSA-N |
| XLogP | 10.16 |
| TPSA | 914.18 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 233 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3308.76 |
| LogP ≤ 5 | 10.16 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 55 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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