2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide

C18H22N2O5S — CID 8515553

IUPAC2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
SMILESCOc1ccc(C)cc1S(=O)(=O)NNC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C18H22N2O5S/c1-12-5-6-16(24-4)17(10-12)26(22,23)20-19-18(21)11-25-15-8-13(2)7-14(3)9-15/h5-10,20H,11H2,1-4H3,(H,19,21)
InChIKeyQRHFSMWOCHEQGT-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.01
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide

2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide (PubChem CID 8515553) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
PubChem CID8515553
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
SMILESCOc1ccc(C)cc1S(=O)(=O)NNC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C18H22N2O5S/c1-12-5-6-16(24-4)17(10-12)26(22,23)20-19-18(21)11-25-15-8-13(2)7-14(3)9-15/h5-10,20H,11H2,1-4H3,(H,19,21)
InChIKeyQRHFSMWOCHEQGT-UHFFFAOYSA-N
XLogP2.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.01
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'-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylphenoxy)acetohydrazide
CID 8515456
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515821
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
CID 8505522
N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8505793
2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
CID 8505175
2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24538797
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide (CID 8515553) is 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide is COc1ccc(C)cc1S(=O)(=O)NNC(=O)COc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide?
The InChIKey is QRHFSMWOCHEQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12-5-6-16(24-4)17(10-12)26(22,23)20-19-18(21)11-25-15-8-13(2)7-14(3)9-15/h5-10,20H,11H2,1-4H3,(H,19,21).
What are the key properties of 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide?
2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide has a molecular weight of 378.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8515553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).