2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide

C24H24N4O7S2 — CID 4873322

IUPAC2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
SMILESCOc1cccc(NN=C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H24N4O7S2/c1-16-7-11-20(12-8-16)36(31,32)27-23(29)22(26-25-18-5-4-6-19(15-18)35-3)24(30)28-37(33,34)21-13-9-17(2)10-14-21/h4-15,25H,1-3H3,(H,27,29)(H,28,30)
InChIKeyKIXZEQDZCHFDAO-UHFFFAOYSA-N
MW544.61 g/mol
LogP2.09
Rot. Bonds9

About 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide

2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide (PubChem CID 4873322) has the molecular formula C24H24N4O7S2 and a molecular weight of 544.61 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
PubChem CID4873322
Molecular FormulaC24H24N4O7S2
Molecular Weight544.61 g/mol
Exact Mass544.11
IUPAC Name2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
SMILESCOc1cccc(NN=C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H24N4O7S2/c1-16-7-11-20(12-8-16)36(31,32)27-23(29)22(26-25-18-5-4-6-19(15-18)35-3)24(30)28-37(33,34)21-13-9-17(2)10-14-21/h4-15,25H,1-3H3,(H,27,29)(H,28,30)
InChIKeyKIXZEQDZCHFDAO-UHFFFAOYSA-N
XLogP2.09
TPSA160.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
CID 4873326
(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride
CID 22909163
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
N'-(4-methoxyphenyl)sulfonyloxamide
CID 68844028
(2Z)-8-methoxy-N-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893598
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391741
1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide?
The IUPAC name of 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide (CID 4873322) is 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide?
The canonical SMILES for 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide is COc1cccc(NN=C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide?
The InChIKey is KIXZEQDZCHFDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O7S2/c1-16-7-11-20(12-8-16)36(31,32)27-23(29)22(26-25-18-5-4-6-19(15-18)35-3)24(30)28-37(33,34)21-13-9-17(2)10-14-21/h4-15,25H,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide?
2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide has a molecular weight of 544.61 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide is sourced from PubChem (CID 4873322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).