4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide

C118H132N16O36S8 — CID 159768039

IUPAC4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCNC(=O)c3nc4ccccc4s3)cc2)CC1.COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(SCCNC(=O)c3cc4ccccc4o3)cc2)CC1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1c[nH]c2ccccc12.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2cccnc2o1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C26H31N3O7S2.C25H30N4O7S2.C23H25N3O7S.C22H23N3O8S.C22H23N3O7S2/c1-35-16-15-29-13-10-26(11-14-29,25(31)28-32)38(33,34)21-8-6-20(7-9-21)37-17-12-27-24(30)23-18-19-4-2-3-5-22(19)36-23;1-35-17-15-29-13-10-25(11-14-29,24(31)28-32)38(33,34)19-8-6-18(7-9-19)36-16-12-26-22(30)23-27-20-4-2-3-5-21(20)37-23;27-21(19-15-25-20-4-2-1-3-18(19)20)24-11-14-33-16-5-7-17(8-6-16)34(30,31)23(22(28)26-29)9-12-32-13-10-23;26-19(18-14-15-2-1-9-24-20(15)33-18)23-10-13-32-16-3-5-17(6-4-16)34(29,30)22(21(27)25-28)7-11-31-12-8-22;26-19(20-24-17-3-1-2-4-18(17)33-20)23-11-14-32-15-5-7-16(8-6-15)34(29,30)22(21(27)25-28)9-12-31-13-10-22/h2-9,18,32H,10-17H2,1H3,(H,27,30)(H,28,31);2-9,32H,10-17H2,1H3,(H,26,30)(H,28,31);1-8,15,25,29H,9-14H2,(H,24,27)(H,26,28);1-6,9,14,28H,7-8,10-13H2,(H,23,26)(H,25,27);1-8,28H,9-14H2,(H,23,26)(H,25,27)
InChIKeyNFTFNBWFRHMOIM-UHFFFAOYSA-N
MW2606.97 g/mol
LogP9.78
Rot. Bonds46

About 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide

4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide (PubChem CID 159768039) has the molecular formula C118H132N16O36S8 and a molecular weight of 2606.97 g/mol. Its IUPAC name is 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide
PubChem CID159768039
Molecular FormulaC118H132N16O36S8
Molecular Weight2606.97 g/mol
Exact Mass2604.68
IUPAC Name4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCNC(=O)c3nc4ccccc4s3)cc2)CC1.COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(SCCNC(=O)c3cc4ccccc4o3)cc2)CC1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1c[nH]c2ccccc12.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2cccnc2o1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C26H31N3O7S2.C25H30N4O7S2.C23H25N3O7S.C22H23N3O8S.C22H23N3O7S2/c1-35-16-15-29-13-10-26(11-14-29,25(31)28-32)38(33,34)21-8-6-20(7-9-21)37-17-12-27-24(30)23-18-19-4-2-3-5-22(19)36-23;1-35-17-15-29-13-10-25(11-14-29,24(31)28-32)38(33,34)19-8-6-18(7-9-19)36-16-12-26-22(30)23-27-20-4-2-3-5-21(20)37-23;27-21(19-15-25-20-4-2-1-3-18(19)20)24-11-14-33-16-5-7-17(8-6-16)34(30,31)23(22(28)26-29)9-12-32-13-10-23;26-19(18-14-15-2-1-9-24-20(15)33-18)23-10-13-32-16-3-5-17(6-4-16)34(29,30)22(21(27)25-28)7-11-31-12-8-22;26-19(20-24-17-3-1-2-4-18(17)33-20)23-11-14-32-15-5-7-16(8-6-15)34(29,30)22(21(27)25-28)9-12-31-13-10-22/h2-9,18,32H,10-17H2,1H3,(H,27,30)(H,28,31);2-9,32H,10-17H2,1H3,(H,26,30)(H,28,31);1-8,15,25,29H,9-14H2,(H,24,27)(H,26,28);1-6,9,14,28H,7-8,10-13H2,(H,23,26)(H,25,27);1-8,28H,9-14H2,(H,23,26)(H,25,27)
InChIKeyNFTFNBWFRHMOIM-UHFFFAOYSA-N
XLogP9.78
TPSA733.14 Ų
H-Bond Donors16
H-Bond Acceptors44
Rotatable Bonds46
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002606.97
LogP ≤ 59.78
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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'}

Analyze 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide (CID 159768039) is 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCNC(=O)c3nc4ccccc4s3)cc2)CC1.COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(SCCNC(=O)c3cc4ccccc4o3)cc2)CC1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1c[nH]c2ccccc12.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cc2cccnc2o1.O=C(NCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1nc2ccccc2s1.
What is the InChIKey of 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide?
The InChIKey is NFTFNBWFRHMOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O7S2.C25H30N4O7S2.C23H25N3O7S.C22H23N3O8S.C22H23N3O7S2/c1-35-16-15-29-13-10-26(11-14-29,25(31)28-32)38(33,34)21-8-6-20(7-9-21)37-17-12-27-24(30)23-18-19-4-2-3-5-22(19)36-23;1-35-17-15-29-13-10-25(11-14-29,24(31)28-32)38(33,34)19-8-6-18(7-9-19)36-16-12-26-22(30)23-27-20-4-2-3-5-21(20)37-23;27-21(19-15-25-20-4-2-1-3-18(19)20)24-11-14-33-16-5-7-17(8-6-16)34(30,31)23(22(28)26-29)9-12-32-13-10-23;26-19(18-14-15-2-1-9-24-20(15)33-18)23-10-13-32-16-3-5-17(6-4-16)34(29,30)22(21(27)25-28)7-11-31-12-8-22;26-19(20-24-17-3-1-2-4-18(17)33-20)23-11-14-32-15-5-7-16(8-6-15)34(29,30)22(21(27)25-28)9-12-31-13-10-22/h2-9,18,32H,10-17H2,1H3,(H,27,30)(H,28,31);2-9,32H,10-17H2,1H3,(H,26,30)(H,28,31);1-8,15,25,29H,9-14H2,(H,24,27)(H,26,28);1-6,9,14,28H,7-8,10-13H2,(H,23,26)(H,25,27);1-8,28H,9-14H2,(H,23,26)(H,25,27).
What are the key properties of 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide?
4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide has a molecular weight of 2606.97 g/mol, XLogP of 9.78, 46 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-benzofuran-2-carbonylamino)ethylsulfanyl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)-1-(2-methoxyethyl)piperidin-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1,3-benzothiazole-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]furo[2,3-b]pyridine-2-carboxamide;N-[2-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 159768039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).