2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide

C20H22N4O4S — CID 8822975

IUPAC2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C20H22N4O4S/c1-14-20(15(2)24(3)22-14)29(26,27)23-21-19(25)13-28-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3,(H,21,25)
InChIKeyFNCQBQLMDWZSDI-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.09
Rot. Bonds7

About 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide

2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide (PubChem CID 8822975) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
PubChem CID8822975
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C20H22N4O4S/c1-14-20(15(2)24(3)22-14)29(26,27)23-21-19(25)13-28-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3,(H,21,25)
InChIKeyFNCQBQLMDWZSDI-UHFFFAOYSA-N
XLogP2.09
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.09
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

2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822984
1,5-dimethyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazole-3-carbohydrazide
CID 60527876
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-[(E)-2-phenylethenyl]sulfonyl-2-(2-phenylphenoxy)acetohydrazide
CID 8506313
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
CID 8506562
4-naphthalen-1-yloxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
CID 138993042
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132
N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 55350702

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
The IUPAC name of 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide (CID 8822975) is 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
The canonical SMILES for 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide is Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
The InChIKey is FNCQBQLMDWZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14-20(15(2)24(3)22-14)29(26,27)23-21-19(25)13-28-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3,(H,21,25).
What are the key properties of 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide has a molecular weight of 414.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide is sourced from PubChem (CID 8822975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).