C124H141N17O30S11 — CID 160618821
4-[4-[2-(1-benzofuran-2-carbonylamino)ethoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-methylpiperidine-4-carboxamide;N-[2-[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-methylpiperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 160618821) has the molecular formula C124H141N17O30S11 and a molecular weight of 2702.32 g/mol. Its IUPAC name is 4-[4-[2-(1-benzofuran-2-carbonylamino)ethoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-methylpiperidine-4-carboxamide;N-[2-[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-methylpiperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide.
| Compound Name | 4-[4-[2-(1-benzofuran-2-carbonylamino)ethoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-methylpiperidine-4-carboxamide;N-[2-[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-methylpiperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide |
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| PubChem CID | 160618821 |
| Molecular Formula | C124H141N17O30S11 |
| Molecular Weight | 2702.32 g/mol |
| Exact Mass | 2699.70 |
| IUPAC Name | 4-[4-[2-(1-benzofuran-2-carbonylamino)ethoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-methylpiperidine-4-carboxamide;N-[2-[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-methylpiperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide |
| SMILES | CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(SCCNC(=O)c3cc4ccccc4o3)cc2)CC1.CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(SCCNC(=O)c3nc4ccccc4s3)cc2)CC1.COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)CC1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C3CC3)CC2)cc1)c1cc2ccccc2o1.O=C(NCCSc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C3CC3)CC2)cc1)c1nc2ccccc2s1 |
| InChI | InChI=1S/C26H31N3O8S.C26H29N3O6S2.C25H28N4O5S3.C24H27N3O6S2.C23H26N4O5S3/c1-35-17-15-29-13-10-26(11-14-29,25(31)28-32)38(33,34)21-8-6-20(7-9-21)36-16-12-27-24(30)23-18-19-4-2-3-5-22(19)37-23;30-24(23-17-18-3-1-2-4-22(18)35-23)27-13-16-36-20-7-9-21(10-8-20)37(33,34)26(25(31)28-32)11-14-29(15-12-26)19-5-6-19;30-22(23-27-20-3-1-2-4-21(20)36-23)26-13-16-35-18-7-9-19(10-8-18)37(33,34)25(24(31)28-32)11-14-29(15-12-25)17-5-6-17;1-27-13-10-24(11-14-27,23(29)26-30)35(31,32)19-8-6-18(7-9-19)34-15-12-25-22(28)21-16-17-4-2-3-5-20(17)33-21;1-27-13-10-23(11-14-27,22(29)26-30)35(31,32)17-8-6-16(7-9-17)33-15-12-24-20(28)21-25-18-4-2-3-5-19(18)34-21/h2-9,18,32H,10-17H2,1H3,(H,27,30)(H,28,31);1-4,7-10,17,19,32H,5-6,11-16H2,(H,27,30)(H,28,31);1-4,7-10,17,32H,5-6,11-16H2,(H,26,30)(H,28,31);2-9,16,30H,10-15H2,1H3,(H,25,28)(H,26,29);2-9,30H,10-15H2,1H3,(H,24,28)(H,26,29) |
| InChIKey | RGLCIZHQNHTTDQ-UHFFFAOYSA-N |
| XLogP | 13.59 |
| TPSA | 662.71 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2702.32 |
| LogP ≤ 5 | 13.59 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 43 |
| 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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