2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide

C20H26N2O5S — CID 8506562

IUPAC2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
SMILESCOc1ccccc1OCC(=O)NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C20H26N2O5S/c1-12-13(2)15(4)20(16(5)14(12)3)28(24,25)22-21-19(23)11-27-18-10-8-7-9-17(18)26-6/h7-10,22H,11H2,1-6H3,(H,21,23)
InChIKeySXZVJGUPNRMFIL-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.63
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide

2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide (PubChem CID 8506562) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
PubChem CID8506562
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
SMILESCOc1ccccc1OCC(=O)NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C20H26N2O5S/c1-12-13(2)15(4)20(16(5)14(12)3)28(24,25)22-21-19(23)11-27-18-10-8-7-9-17(18)26-6/h7-10,22H,11H2,1-6H3,(H,21,23)
InChIKeySXZVJGUPNRMFIL-UHFFFAOYSA-N
XLogP2.63
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530
N-[4-[[[2-(2-methoxyphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8506456
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523716
N'-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylphenoxy)acetohydrazide
CID 8515456
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9470869
2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 8614556
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 8696693

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide (CID 8506562) is 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide is COc1ccccc1OCC(=O)NNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide?
The InChIKey is SXZVJGUPNRMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-12-13(2)15(4)20(16(5)14(12)3)28(24,25)22-21-19(23)11-27-18-10-8-7-9-17(18)26-6/h7-10,22H,11H2,1-6H3,(H,21,23).
What are the key properties of 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide?
2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide has a molecular weight of 406.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8506562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).