4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen

C44H58N6O13S2 — CID 160761493

IUPAC4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen
SMILESCOc1ccc(/C(N)=N/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.N/C(=N\CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C23H29N3O7S.C21H25N3O6S.2H2/c1-31-18-5-3-17(4-6-18)21(24)25-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)26-28)11-15-32-16-12-23;22-19(16-4-2-1-3-5-16)23-12-15-30-17-6-8-18(9-7-17)31(27,28)21(20(25)24-26)10-13-29-14-11-21;;/h3-10,28H,2,11-16H2,1H3,(H2,24,25)(H,26,27);1-9,26H,10-15H2,(H2,22,23)(H,24,25);2*1H
InChIKeyRYCZJVNRXLKACD-UHFFFAOYSA-N
MW943.11 g/mol
LogP3.49
Rot. Bonds18

About 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen

4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen (PubChem CID 160761493) has the molecular formula C44H58N6O13S2 and a molecular weight of 943.11 g/mol. Its IUPAC name is 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen
PubChem CID160761493
Molecular FormulaC44H58N6O13S2
Molecular Weight943.11 g/mol
Exact Mass942.35
IUPAC Name4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen
SMILESCOc1ccc(/C(N)=N/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.N/C(=N\CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C23H29N3O7S.C21H25N3O6S.2H2/c1-31-18-5-3-17(4-6-18)21(24)25-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)26-28)11-15-32-16-12-23;22-19(16-4-2-1-3-5-16)23-12-15-30-17-6-8-18(9-7-17)31(27,28)21(20(25)24-26)10-13-29-14-11-21;;/h3-10,28H,2,11-16H2,1H3,(H2,24,25)(H,26,27);1-9,26H,10-15H2,(H2,22,23)(H,24,25);2*1H
InChIKeyRYCZJVNRXLKACD-UHFFFAOYSA-N
XLogP3.49
TPSA289.85 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.11
LogP ≤ 53.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 158147702
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
4-[4-[(Z)-4-cyano-4-(4-methoxyphenyl)but-3-enoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620695
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620387
N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10207036
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
N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620304

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen?
The IUPAC name of 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen (CID 160761493) is 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen is COc1ccc(/C(N)=N/CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.N/C(=N\CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1ccccc1.[H][H].[H][H].
What is the InChIKey of 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen?
The InChIKey is RYCZJVNRXLKACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S.C21H25N3O6S.2H2/c1-31-18-5-3-17(4-6-18)21(24)25-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)26-28)11-15-32-16-12-23;22-19(16-4-2-1-3-5-16)23-12-15-30-17-6-8-18(9-7-17)31(27,28)21(20(25)24-26)10-13-29-14-11-21;;/h3-10,28H,2,11-16H2,1H3,(H2,24,25)(H,26,27);1-9,26H,10-15H2,(H2,22,23)(H,24,25);2*1H.
What are the key properties of 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen?
4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen has a molecular weight of 943.11 g/mol, XLogP of 3.49, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 160761493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).