N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide

C19H22N2O6S — CID 9470869

IUPACN'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O6S/c1-14-7-9-15(10-8-14)28(24,25)12-11-18(22)20-21-19(23)13-27-17-6-4-3-5-16(17)26-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySFHRURKAVQBSGH-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.39
Rot. Bonds8

About N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide

N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide (PubChem CID 9470869) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
PubChem CID9470869
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O6S/c1-14-7-9-15(10-8-14)28(24,25)12-11-18(22)20-21-19(23)13-27-17-6-4-3-5-16(17)26-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySFHRURKAVQBSGH-UHFFFAOYSA-N
XLogP1.39
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9469934
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
1-(3-methoxyphenyl)-3-[3-(4-methylphenyl)sulfonylpropanoylamino]thiourea
CID 9158195
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
N-[4-[[[2-(2-methoxyphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8506456
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168537
2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
CID 8506562

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The IUPAC name of N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide (CID 9470869) is N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The canonical SMILES for N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide is COc1ccccc1OCC(=O)NNC(=O)CCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The InChIKey is SFHRURKAVQBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-14-7-9-15(10-8-14)28(24,25)12-11-18(22)20-21-19(23)13-27-17-6-4-3-5-16(17)26-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide has a molecular weight of 406.46 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 9470869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).