4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide

C84H103N5O20S3 — CID 159561096

IUPAC4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESC#C/C(=C\CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccc(CC(C)C)c(C)c1.COc1ccc(/C(C#N)=C/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1.COc1ccc(/C(C)=C/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C30H37NO6S.C28H33N3O6S.C26H33NO8S/c1-5-24(26-10-9-25(20-22(2)3)23(4)21-26)8-6-7-17-37-27-11-13-28(14-12-27)38(34,35)30(29(32)31-33)15-18-36-19-16-30;1-36-24-9-5-21(6-10-24)22(20-29)4-2-3-19-37-25-11-13-26(14-12-25)38(34,35)28(27(32)30-33)15-17-31(18-16-28)23-7-8-23;1-19(23-12-9-21(32-2)18-24(23)33-3)6-4-5-15-35-20-7-10-22(11-8-20)36(30,31)26(25(28)27-29)13-16-34-17-14-26/h1,8-14,21-22,33H,6-7,15-20H2,2-4H3,(H,31,32);4-6,9-14,23,33H,2-3,7-8,15-19H2,1H3,(H,30,32);6-12,18,29H,4-5,13-17H2,1-3H3,(H,27,28)/b24-8+;22-4+;19-6+
InChIKeyMGQBXJZTRRWJKC-HBZIFLAYSA-N
MW1598.96 g/mol
LogP12.43
Rot. Bonds33

About 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide

4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 159561096) has the molecular formula C84H103N5O20S3 and a molecular weight of 1598.96 g/mol. Its IUPAC name is 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID159561096
Molecular FormulaC84H103N5O20S3
Molecular Weight1598.96 g/mol
Exact Mass1597.64
IUPAC Name4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESC#C/C(=C\CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccc(CC(C)C)c(C)c1.COc1ccc(/C(C#N)=C/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1.COc1ccc(/C(C)=C/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C30H37NO6S.C28H33N3O6S.C26H33NO8S/c1-5-24(26-10-9-25(20-22(2)3)23(4)21-26)8-6-7-17-37-27-11-13-28(14-12-27)38(34,35)30(29(32)31-33)15-18-36-19-16-30;1-36-24-9-5-21(6-10-24)22(20-29)4-2-3-19-37-25-11-13-26(14-12-25)38(34,35)28(27(32)30-33)15-17-31(18-16-28)23-7-8-23;1-19(23-12-9-21(32-2)18-24(23)33-3)6-4-5-15-35-20-7-10-22(11-8-20)36(30,31)26(25(28)27-29)13-16-34-17-14-26/h1,8-14,21-22,33H,6-7,15-20H2,2-4H3,(H,31,32);4-6,9-14,23,33H,2-3,7-8,15-19H2,1H3,(H,30,32);6-12,18,29H,4-5,13-17H2,1-3H3,(H,27,28)/b24-8+;22-4+;19-6+
InChIKeyMGQBXJZTRRWJKC-HBZIFLAYSA-N
XLogP12.43
TPSA351.28 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001598.96
LogP ≤ 512.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide with MolForge

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Related Compounds

4-[4-[(Z)-4-cyano-4-(4-methoxyphenyl)but-3-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620695
1-cyclopropyl-N-hydroxy-4-[4-[(Z)-6-hydroxyimino-5-(4-methoxyphenyl)hex-4-enoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 159120672
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
4-[4-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 46891358
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620647
4-[4-[3-(3,4-dimethoxyphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylpropanoyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-propan-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 158611950
4-[4-[3-[(4-cyanobenzoyl)amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620754
1-cyclopropyl-N-hydroxy-4-[4-[3-(3-piperidin-1-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 20620249
1-cyclopropyl-4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 159727464
4-[4-[3-[3-(2,6-difluoro-1-propan-2-ylpyridin-1-ium-4-yl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620425

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide (CID 159561096) is 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide is C#C/C(=C\CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccc(CC(C)C)c(C)c1.COc1ccc(/C(C#N)=C/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1.COc1ccc(/C(C)=C/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c(OC)c1.
What is the InChIKey of 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is MGQBXJZTRRWJKC-HBZIFLAYSA-N. The full InChI is InChI=1S/C30H37NO6S.C28H33N3O6S.C26H33NO8S/c1-5-24(26-10-9-25(20-22(2)3)23(4)21-26)8-6-7-17-37-27-11-13-28(14-12-27)38(34,35)30(29(32)31-33)15-18-36-19-16-30;1-36-24-9-5-21(6-10-24)22(20-29)4-2-3-19-37-25-11-13-26(14-12-25)38(34,35)28(27(32)30-33)15-17-31(18-16-28)23-7-8-23;1-19(23-12-9-21(32-2)18-24(23)33-3)6-4-5-15-35-20-7-10-22(11-8-20)36(30,31)26(25(28)27-29)13-16-34-17-14-26/h1,8-14,21-22,33H,6-7,15-20H2,2-4H3,(H,31,32);4-6,9-14,23,33H,2-3,7-8,15-19H2,1H3,(H,30,32);6-12,18,29H,4-5,13-17H2,1-3H3,(H,27,28)/b24-8+;22-4+;19-6+.
What are the key properties of 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide?
4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 1598.96 g/mol, XLogP of 12.43, 33 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-5-cyano-5-(4-methoxyphenyl)pent-4-enoxy]phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide;4-[4-[(E)-5-(2,4-dimethoxyphenyl)hex-4-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[(E)-5-[3-methyl-4-(2-methylpropyl)phenyl]hept-4-en-6-ynoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 159561096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).