C131H151F3N24O44S7 — CID 158237355
4-[4-[2-[[2-(2-benzyltetrazol-5-yl)acetyl]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-4-pyridin-4-yl-1,3-oxazole-2-carboxamide;N-hydroxy-4-[4-[2-[[2-(1-methylimidazol-4-yl)acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[[2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 158237355) has the molecular formula C131H151F3N24O44S7 and a molecular weight of 3047.24 g/mol. Its IUPAC name is 4-[4-[2-[[2-(2-benzyltetrazol-5-yl)acetyl]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-4-pyridin-4-yl-1,3-oxazole-2-carboxamide;N-hydroxy-4-[4-[2-[[2-(1-methylimidazol-4-yl)acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[[2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide.
| Compound Name | 4-[4-[2-[[2-(2-benzyltetrazol-5-yl)acetyl]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-4-pyridin-4-yl-1,3-oxazole-2-carboxamide;N-hydroxy-4-[4-[2-[[2-(1-methylimidazol-4-yl)acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[[2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide |
|---|---|
| PubChem CID | 158237355 |
| Molecular Formula | C131H151F3N24O44S7 |
| Molecular Weight | 3047.24 g/mol |
| Exact Mass | 3044.83 |
| IUPAC Name | 4-[4-[2-[[2-(2-benzyltetrazol-5-yl)acetyl]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-4-pyridin-4-yl-1,3-oxazole-2-carboxamide;N-hydroxy-4-[4-[2-[[2-(1-methylimidazol-4-yl)acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[[2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]acetyl]amino]ethoxy]phenyl]sulfonyloxane-4-carboxamide |
| SMILES | Cn1cnc(CC(=O)NCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c1.O=C(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.O=C(Cc1cccs1)NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.O=C(Cc1nn[nH]n1)NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.O=C(Cc1nnn(Cc2ccccc2)n1)NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1nc(-c2ccncc2)co1 |
| InChI | InChI=1S/C27H27F3N2O8S.C24H28N6O7S.C23H24N4O8S.C20H26N4O7S.C20H24N2O7S2.C17H22N6O7S/c28-27(29,30)19-3-1-2-18(16-19)23-9-6-21(40-23)17-24(33)31-12-15-39-20-4-7-22(8-5-20)41(36,37)26(25(34)32-35)10-13-38-14-11-26;31-22(16-21-26-29-30(27-21)17-18-4-2-1-3-5-18)25-12-15-37-19-6-8-20(9-7-19)38(34,35)24(23(32)28-33)10-13-36-14-11-24;28-20(21-26-19(15-35-21)16-5-9-24-10-6-16)25-11-14-34-17-1-3-18(4-2-17)36(31,32)23(22(29)27-30)7-12-33-13-8-23;1-24-13-15(22-14-24)12-18(25)21-8-11-31-16-2-4-17(5-3-16)32(28,29)20(19(26)23-27)6-9-30-10-7-20;23-18(14-16-2-1-13-30-16)21-9-12-29-15-3-5-17(6-4-15)31(26,27)20(19(24)22-25)7-10-28-11-8-20;24-15(11-14-19-22-23-20-14)18-7-10-30-12-1-3-13(4-2-12)31(27,28)17(16(25)21-26)5-8-29-9-6-17/h1-9,16,35H,10-15,17H2,(H,31,33)(H,32,34);1-9,33H,10-17H2,(H,25,31)(H,28,32);1-6,9-10,15,30H,7-8,11-14H2,(H,25,28)(H,27,29);2-5,13-14,27H,6-12H2,1H3,(H,21,25)(H,23,26);1-6,13,25H,7-12,14H2,(H,21,23)(H,22,24);1-4,26H,5-11H2,(H,18,24)(H,21,25)(H,19,20,22,23) |
| InChIKey | GFCXUBQJEVSMKW-UHFFFAOYSA-N |
| XLogP | 5.26 |
| TPSA | 954.12 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3047.24 |
| LogP ≤ 5 | 5.26 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 56 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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