C107H120N24O21S5 — CID 159667614
N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-6-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepan-4-yl]amino]pyridine-3-carboxamide (PubChem CID 159667614) has the molecular formula C107H120N24O21S5 and a molecular weight of 2238.62 g/mol. Its IUPAC name is N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-6-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepan-4-yl]amino]pyridine-3-carboxamide.
| Compound Name | N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-6-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepan-4-yl]amino]pyridine-3-carboxamide |
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| PubChem CID | 159667614 |
| Molecular Formula | C107H120N24O21S5 |
| Molecular Weight | 2238.62 g/mol |
| Exact Mass | 2236.77 |
| IUPAC Name | N-hydroxy-2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxamide;N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[[1-(4-phenylphenyl)sulfonylazepan-4-yl]amino]pyrimidine-5-carboxamide;N-hydroxy-6-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepan-4-yl]amino]pyridine-3-carboxamide |
| SMILES | O=C(NO)c1ccc(NC2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1cnc(NC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(NO)c1cnc(NCC2CN(S(=O)(=O)c3ccc4ccccc4c3)CCO2)nc1 |
| InChI | InChI=1S/C23H25N5O4S.C22H28N4O4S.2C21H23N5O4S.C20H21N5O5S/c29-22(27-30)19-15-24-23(25-16-19)26-20-7-4-13-28(14-12-20)33(31,32)21-10-8-18(9-11-21)17-5-2-1-3-6-17;27-22(25-28)18-8-10-21(23-15-18)24-19-6-3-12-26(13-11-19)31(29,30)20-9-7-16-4-1-2-5-17(16)14-20;27-20(25-28)17-13-22-21(23-14-17)24-18-6-3-10-26(11-9-18)31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;27-20(25-28)18-13-23-21(24-14-18)22-12-15-7-9-26(10-8-15)31(29,30)19-6-5-16-3-1-2-4-17(16)11-19;26-19(24-27)16-10-21-20(22-11-16)23-12-17-13-25(7-8-30-17)31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-3,5-6,8-11,15-16,20,30H,4,7,12-14H2,(H,27,29)(H,24,25,26);7-10,14-15,19,28H,1-6,11-13H2,(H,23,24)(H,25,27);1-2,4-5,7-8,12-14,18,28H,3,6,9-11H2,(H,25,27)(H,22,23,24);1-6,11,13-15,28H,7-10,12H2,(H,25,27)(H,22,23,24);1-6,9-11,17,27H,7-8,12-13H2,(H,24,26)(H,21,22,23) |
| InChIKey | MTPNTLGEKGGCKW-UHFFFAOYSA-N |
| XLogP | 11.57 |
| TPSA | 618.94 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2238.62 |
| LogP ≤ 5 | 11.57 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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