C160H169N17O48S14 — CID 158089028
4-[4-[2-(1-benzothiophene-2-carbonylamino)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[2-(1-benzothiophen-3-yl)acetyl]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylanilino]ethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 158089028) has the molecular formula C160H169N17O48S14 and a molecular weight of 3547.12 g/mol. Its IUPAC name is 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[2-(1-benzothiophen-3-yl)acetyl]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylanilino]ethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.
| Compound Name | 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[2-(1-benzothiophen-3-yl)acetyl]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylanilino]ethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158089028 |
| Molecular Formula | C160H169N17O48S14 |
| Molecular Weight | 3547.12 g/mol |
| Exact Mass | 3543.74 |
| IUPAC Name | 4-[4-[2-(1-benzothiophene-2-carbonylamino)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-(1-benzothiophene-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[2-(1-benzothiophen-3-yl)acetyl]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylanilino]ethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-1-benzofuran-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]sulfanylethyl]-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide |
| SMILES | O=C(Cc1csc2ccccc12)NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.O=C(NCCNc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2o1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2o1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2s1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2o1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2ccccc2s1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1nc2cccnc2s1 |
| InChI | InChI=1S/C24H26N2O7S2.C23H25N3O7S.C23H24N2O8S.2C23H24N2O7S2.C23H24N2O6S3.C21H22N4O6S3/c27-22(15-17-16-34-21-4-2-1-3-20(17)21)25-11-14-33-18-5-7-19(8-6-18)35(30,31)24(23(28)26-29)9-12-32-13-10-24;27-21(20-15-16-3-1-2-4-19(16)33-20)25-12-11-24-17-5-7-18(8-6-17)34(30,31)23(22(28)26-29)9-13-32-14-10-23;26-21(20-15-16-3-1-2-4-19(16)33-20)24-11-14-32-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;26-21(20-15-16-3-1-2-4-19(16)32-20)24-11-14-33-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;2*26-21(20-15-16-3-1-2-4-19(16)33-20)24-11-14-32-17-5-7-18(8-6-17)34(29,30)23(22(27)25-28)9-12-31-13-10-23;26-17(19-24-16-2-1-9-23-18(16)33-19)22-10-13-32-14-3-5-15(6-4-14)34(29,30)21(20(27)25-28)7-11-31-12-8-21/h1-8,16,29H,9-15H2,(H,25,27)(H,26,28);1-8,15,24,29H,9-14H2,(H,25,27)(H,26,28);4*1-8,15,28H,9-14H2,(H,24,26)(H,25,27);1-6,9,28H,7-8,10-13H2,(H,22,26)(H,25,27) |
| InChIKey | FNWGGMYCPPWKJL-UHFFFAOYSA-N |
| XLogP | 17.26 |
| TPSA | 957.52 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 239 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3547.12 |
| LogP ≤ 5 | 17.26 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 58 |
| 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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