N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide

C23H27NO8S — CID 10184126

IUPACN-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(C(=O)CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C23H27NO8S/c1-30-18-6-4-17(5-7-18)21(25)3-2-14-32-19-8-10-20(11-9-19)33(28,29)23(22(26)24-27)12-15-31-16-13-23/h4-11,27H,2-3,12-16H2,1H3,(H,24,26)
InChIKeyPLPIRJVZJFNLOO-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.57
Rot. Bonds10

About N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 10184126) has the molecular formula C23H27NO8S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID10184126
Molecular FormulaC23H27NO8S
Molecular Weight477.54 g/mol
Exact Mass477.15
IUPAC NameN-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(C(=O)CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C23H27NO8S/c1-30-18-6-4-17(5-7-18)21(25)3-2-14-32-19-8-10-20(11-9-19)33(28,29)23(22(26)24-27)12-15-31-16-13-23/h4-11,27H,2-3,12-16H2,1H3,(H,24,26)
InChIKeyPLPIRJVZJFNLOO-UHFFFAOYSA-N
XLogP2.57
TPSA128.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

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
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10207036
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
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
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
4-[4-[3-[(4-cyanobenzoyl)amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620754
N-hydroxy-4-[4-[3-[(4-methoxybenzoyl)amino]propanoylamino]phenyl]sulfonyloxane-4-carboxamide
CID 20620808
N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620647
N-hydroxy-4-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 54582543

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide (CID 10184126) is N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide is COc1ccc(C(=O)CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is PLPIRJVZJFNLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO8S/c1-30-18-6-4-17(5-7-18)21(25)3-2-14-32-19-8-10-20(11-9-19)33(28,29)23(22(26)24-27)12-15-31-16-13-23/h4-11,27H,2-3,12-16H2,1H3,(H,24,26).
What are the key properties of N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10184126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).