2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)

C17H27N2O4SY — CID 21068669

IUPAC2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)
SMILESCc1[c-]ccc(C)c1C.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[Y+3]
InChIInChI=1S/C9H11.C8H16N2O4S.Y/c1-7-5-4-6-8(2)9(7)3;1-5-10(6-2)15(13,14)8(3,4)7(11)9-12;/h4-5H,1-3H3;12H,1-2,5-6H2,3-4H3,(H,9,11);/q-1;-2;+3
InChIKeyJSWIZMGGKGSOSF-UHFFFAOYSA-N
MW444.39 g/mol
LogP1.98
Rot. Bonds5

About 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)

2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+) (PubChem CID 21068669) has the molecular formula C17H27N2O4SY and a molecular weight of 444.39 g/mol. Its IUPAC name is 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+).

Molecular Properties

Compound Name2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)
PubChem CID21068669
Molecular FormulaC17H27N2O4SY
Molecular Weight444.39 g/mol
Exact Mass444.08
IUPAC Name2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)
SMILESCc1[c-]ccc(C)c1C.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[Y+3]
InChIInChI=1S/C9H11.C8H16N2O4S.Y/c1-7-5-4-6-8(2)9(7)3;1-5-10(6-2)15(13,14)8(3,4)7(11)9-12;/h4-5H,1-3H3;12H,1-2,5-6H2,3-4H3,(H,9,11);/q-1;-2;+3
InChIKeyJSWIZMGGKGSOSF-UHFFFAOYSA-N
XLogP1.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)?
The IUPAC name of 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+) (CID 21068669) is 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+).
What is the SMILES notation for 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)?
The canonical SMILES for 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+) is Cc1[c-]ccc(C)c1C.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[Y+3].
What is the InChIKey of 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)?
The InChIKey is JSWIZMGGKGSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.C8H16N2O4S.Y/c1-7-5-4-6-8(2)9(7)3;1-5-10(6-2)15(13,14)8(3,4)7(11)9-12;/h4-5H,1-3H3;12H,1-2,5-6H2,3-4H3,(H,9,11);/q-1;-2;+3.
What are the key properties of 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)?
2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+) has a molecular weight of 444.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+) is sourced from PubChem (CID 21068669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).