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

C24H30N2O7S — CID 10141214

IUPAC4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCN(C)c1ccc(C(=O)CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
InChIKeyCADOQGNFDXDEHI-UHFFFAOYSA-N
MW490.58 g/mol
LogP2.62
Rot. Bonds10

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

4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 10141214) has the molecular formula C24H30N2O7S and a molecular weight of 490.58 g/mol. Its IUPAC name is 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID10141214
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC Name4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCN(C)c1ccc(C(=O)CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
InChIKeyCADOQGNFDXDEHI-UHFFFAOYSA-N
XLogP2.62
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 52.62
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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 10141214) is 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is CN(C)c1ccc(C(=O)CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is CADOQGNFDXDEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28).
What are the key properties of 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(dimethylamino)phenyl]-4-oxobutoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 10141214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).