2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide

C25H22N2O7S — CID 127037444

IUPAC2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide
SMILESO=C(Cc1ccccc1S(=O)(=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1)NO
InChIInChI=1S/C25H22N2O7S/c28-23(26-31)16-17-6-1-4-9-22(17)35(32,33)19-12-10-18(11-13-19)34-15-5-14-27-24(29)20-7-2-3-8-21(20)25(27)30/h1-4,6-13,31H,5,14-16H2,(H,26,28)
InChIKeyATZPVLVGDZFBHG-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.63
Rot. Bonds9

About 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide

2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide (PubChem CID 127037444) has the molecular formula C25H22N2O7S and a molecular weight of 494.53 g/mol. Its IUPAC name is 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide
PubChem CID127037444
Molecular FormulaC25H22N2O7S
Molecular Weight494.53 g/mol
Exact Mass494.11
IUPAC Name2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide
SMILESO=C(Cc1ccccc1S(=O)(=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1)NO
InChIInChI=1S/C25H22N2O7S/c28-23(26-31)16-17-6-1-4-9-22(17)35(32,33)19-12-10-18(11-13-19)34-15-5-14-27-24(29)20-7-2-3-8-21(20)25(27)30/h1-4,6-13,31H,5,14-16H2,(H,26,28)
InChIKeyATZPVLVGDZFBHG-UHFFFAOYSA-N
XLogP2.63
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide (CID 127037444) is 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide is O=C(Cc1ccccc1S(=O)(=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1)NO.
What is the InChIKey of 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide?
The InChIKey is ATZPVLVGDZFBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O7S/c28-23(26-31)16-17-6-1-4-9-22(17)35(32,33)19-12-10-18(11-13-19)34-15-5-14-27-24(29)20-7-2-3-8-21(20)25(27)30/h1-4,6-13,31H,5,14-16H2,(H,26,28).
What are the key properties of 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide?
2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide has a molecular weight of 494.53 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]sulfonylphenyl]-N-hydroxyacetamide is sourced from PubChem (CID 127037444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).