4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C23H28N2O7S — CID 20620561

IUPAC4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCN(C)c1ccc(C(=O)CCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O7S/c1-25(2)18-5-3-17(4-6-18)21(26)11-14-32-19-7-9-20(10-8-19)33(29,30)23(22(27)24-28)12-15-31-16-13-23/h3-10,28H,11-16H2,1-2H3,(H,24,27)
InChIKeySJTWWQWUAQAYAB-UHFFFAOYSA-N
MW476.55 g/mol
LogP2.23
Rot. Bonds9

About 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 20620561) has the molecular formula C23H28N2O7S and a molecular weight of 476.55 g/mol. Its IUPAC name is 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID20620561
Molecular FormulaC23H28N2O7S
Molecular Weight476.55 g/mol
Exact Mass476.16
IUPAC Name4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCN(C)c1ccc(C(=O)CCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C23H28N2O7S/c1-25(2)18-5-3-17(4-6-18)21(26)11-14-32-19-7-9-20(10-8-19)33(29,30)23(22(27)24-28)12-15-31-16-13-23/h3-10,28H,11-16H2,1-2H3,(H,24,27)
InChIKeySJTWWQWUAQAYAB-UHFFFAOYSA-N
XLogP2.23
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 10118047
4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 10141214
1-[4-(4-Acetylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one
CID 4112434
1-(3-Fluoro-4-(4-(2-isopropoxy-5-(methylsulfonyl)benzoyl)piperazin-1-yl)phenyl)ethanone
CID 11488045
4-(4-(3-(4-(dimethylamino)benzamido)propoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 20620757
1-(4-(4-(2-Sec-butoxy-5-(methylsulfonyl)benzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone
CID 44580752
1-(4-(4-(2-(Cyclopropylmethoxy)-5-(methylsulfonyl)benzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone
CID 44580753
rac-1-(4-{4-[5-Methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-benzoyl]-piperazin-1-yl}-phenyl)ethanone
CID 46839297
1-(4-Acetylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60144089
4-{[(4-Methoxyphenyl)sulfonyl](methyl)amino}benzamide
CID 967709
3-((4-ethoxyphenyl)sulfonyl)-1-methylquinolin-4(1H)-one
CID 16009735
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide
CID 44316057

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 20620561) is 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is CN(C)c1ccc(C(=O)CCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.
What is the InChIKey of 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is SJTWWQWUAQAYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7S/c1-25(2)18-5-3-17(4-6-18)21(26)11-14-32-19-7-9-20(10-8-19)33(29,30)23(22(27)24-28)12-15-31-16-13-23/h3-10,28H,11-16H2,1-2H3,(H,24,27).
What are the key properties of 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(dimethylamino)phenyl]-3-oxopropoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 20620561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).