N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide

C24H22N2O7S — CID 10277610

IUPACN,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide
SMILESO=C1c2ccccc2CN1c1ccc(S(=O)(=O)CC(O)(COc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C24H22N2O7S/c27-22-21-9-5-4-6-17(21)14-26(22)18-10-12-20(13-11-18)34(31,32)16-24(29,23(28)25-30)15-33-19-7-2-1-3-8-19/h1-13,29-30H,14-16H2,(H,25,28)
InChIKeySIUBXPZDYPVARD-UHFFFAOYSA-N
MW482.51 g/mol
LogP1.94
Rot. Bonds8

About N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide

N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide (PubChem CID 10277610) has the molecular formula C24H22N2O7S and a molecular weight of 482.51 g/mol. Its IUPAC name is N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide
PubChem CID10277610
Molecular FormulaC24H22N2O7S
Molecular Weight482.51 g/mol
Exact Mass482.11
IUPAC NameN,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide
SMILESO=C1c2ccccc2CN1c1ccc(S(=O)(=O)CC(O)(COc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C24H22N2O7S/c27-22-21-9-5-4-6-17(21)14-26(22)18-10-12-20(13-11-18)34(31,32)16-24(29,23(28)25-30)15-33-19-7-2-1-3-8-19/h1-13,29-30H,14-16H2,(H,25,28)
InChIKeySIUBXPZDYPVARD-UHFFFAOYSA-N
XLogP1.94
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide?
The IUPAC name of N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide (CID 10277610) is N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide.
What is the SMILES notation for N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide?
The canonical SMILES for N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide is O=C1c2ccccc2CN1c1ccc(S(=O)(=O)CC(O)(COc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide?
The InChIKey is SIUBXPZDYPVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O7S/c27-22-21-9-5-4-6-17(21)14-26(22)18-10-12-20(13-11-18)34(31,32)16-24(29,23(28)25-30)15-33-19-7-2-1-3-8-19/h1-13,29-30H,14-16H2,(H,25,28).
What are the key properties of N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide?
N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide has a molecular weight of 482.51 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-2-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]sulfonylmethyl]-3-phenoxypropanamide is sourced from PubChem (CID 10277610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).