4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C25H32N2O7S — CID 10118047

IUPAC4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCN(C)c1ccc(C(=O)CCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
InChIKeyWBIKMXRYXWFRCE-UHFFFAOYSA-N
MW504.61 g/mol
LogP3.01
Rot. Bonds11

About 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 10118047) has the molecular formula C25H32N2O7S and a molecular weight of 504.61 g/mol. Its IUPAC name is 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID10118047
Molecular FormulaC25H32N2O7S
Molecular Weight504.61 g/mol
Exact Mass504.19
IUPAC Name4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCN(C)c1ccc(C(=O)CCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
InChIKeyWBIKMXRYXWFRCE-UHFFFAOYSA-N
XLogP3.01
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 53.01
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

4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 10141214
4-(4-(3-(4-(dimethylamino)phenyl)-3-oxopropoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 20620561
1-[4-(4-Acetylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one
CID 4112434
4-(4-(3-(4-(dimethylamino)benzamido)propoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 20620757
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide
CID 44316057
4-[4-[3-[[4-(dimethylamino)benzoyl]-methylamino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 169430520
4-fluoro-N-[4-[1-[4-(4-methylsulfonylphenoxy)butanoylamino]ethyl]phenyl]benzamide
CID 56160655
N-(4-Acetylphenyl)-3-(4-methoxybenzenesulfonyl)propanamide
CID 4301028
3-(4-Ethoxybenzenesulfonyl)-6-ethyl-1-methyl-1,4-dihydroquinolin-4-one
CID 20874622
N-hydroxy-4-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 9935820
1-cyclopropyl-N-hydroxy-4-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 9958986
N-hydroxy-4-[4-[4-(N-methylanilino)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 9982433

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 10118047) is 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is CN(C)c1ccc(C(=O)CCCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is WBIKMXRYXWFRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29).
What are the key properties of 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 504.61 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[4-(dimethylamino)phenyl]-5-oxopentoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 10118047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).