bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))

C32H50N4O8S2Y2 — CID 162131988

IUPACbis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))
SMILESCc1[c-]ccc(C)c1.Cc1c[c-]ccc1C.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[Y+3].[Y+3]
InChIInChI=1S/2C8H16N2O4S.2C8H9.2Y/c2*1-5-10(6-2)15(13,14)8(3,4)7(11)9-12;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;;/h2*12H,1-2,5-6H2,3-4H3,(H,9,11);3-4,6H,1-2H3;3,5-6H,1-2H3;;/q2*-2;2*-1;2*+3
InChIKeyITVMXLAQGFSRNI-UHFFFAOYSA-N
MW860.72 g/mol
LogP3.34
Rot. Bonds10

About bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))

bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+)) (PubChem CID 162131988) has the molecular formula C32H50N4O8S2Y2 and a molecular weight of 860.72 g/mol. Its IUPAC name is bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+)).

Molecular Properties

Compound Namebis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))
PubChem CID162131988
Molecular FormulaC32H50N4O8S2Y2
Molecular Weight860.72 g/mol
Exact Mass860.12
IUPAC Namebis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))
SMILESCc1[c-]ccc(C)c1.Cc1c[c-]ccc1C.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[Y+3].[Y+3]
InChIInChI=1S/2C8H16N2O4S.2C8H9.2Y/c2*1-5-10(6-2)15(13,14)8(3,4)7(11)9-12;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;;/h2*12H,1-2,5-6H2,3-4H3,(H,9,11);3-4,6H,1-2H3;3,5-6H,1-2H3;;/q2*-2;2*-1;2*+3
InChIKeyITVMXLAQGFSRNI-UHFFFAOYSA-N
XLogP3.34
TPSA173.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500860.72
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;1,2,3-trimethylbenzene-6-ide;yttrium(3+)
CID 21068669
2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide;propane;yttrium(3+)
CID 21068675
methylbenzene;2-methylbenzene-5-ide-1-sulfonic acid;yttrium
CID 58427650
N-hydroxy-2-methyl-2-[methyl(3-phenylsulfanylpropyl)sulfamoyl]propanamide
CID 18723078
2-[(4-chloro-2-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265464
2-[(2-chloro-4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261963
2,4-dimethylaniline;sulfuric acid;hydrate
CID 131846787
4-methyl-2-(2,2,2-trifluoroacetyl)benzenesulfonic acid
CID 57005153
acetylazanide;N,N-dimethyl-N'-(2-methylbenzene-5-id-1-yl)sulfonylmethanimidamide;yttrium(3+)
CID 22891027
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564
acetylazanide;2-methylbenzene-5-ide-1-sulfonamide;yttrium
CID 59870138

Frequently Asked Questions

What is the IUPAC name of bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))?
The IUPAC name of bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+)) (CID 162131988) is bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+)).
What is the SMILES notation for bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))?
The canonical SMILES for bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+)) is Cc1[c-]ccc(C)c1.Cc1c[c-]ccc1C.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[CH2-]CN(C[CH2-])S(=O)(=O)C(C)(C)C(=O)NO.[Y+3].[Y+3].
What is the InChIKey of bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))?
The InChIKey is ITVMXLAQGFSRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2O4S.2C8H9.2Y/c2*1-5-10(6-2)15(13,14)8(3,4)7(11)9-12;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;;/h2*12H,1-2,5-6H2,3-4H3,(H,9,11);3-4,6H,1-2H3;3,5-6H,1-2H3;;/q2*-2;2*-1;2*+3.
What are the key properties of bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+))?
bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+)) has a molecular weight of 860.72 g/mol, XLogP of 3.34, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[di(ethyl)sulfamoyl]-N-hydroxy-2-methylpropanamide);1,2-dimethylbenzene-5-ide;1,3-dimethylbenzene-6-ide;bis(yttrium(3+)) is sourced from PubChem (CID 162131988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).