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

C19H22N2O5S — CID 9469934

IUPACN'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-7-9-16(10-8-14)27(24,25)12-11-18(22)20-21-19(23)13-26-17-6-4-3-5-15(17)2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOXRUHAXBUONNNR-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.69
Rot. Bonds7

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

N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide (PubChem CID 9469934) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
PubChem CID9469934
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-7-9-16(10-8-14)27(24,25)12-11-18(22)20-21-19(23)13-26-17-6-4-3-5-15(17)2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOXRUHAXBUONNNR-UHFFFAOYSA-N
XLogP1.69
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.69
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-(2-methoxyphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9470869
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
N,4-dimethyl-N-[2-[2-[4-(2-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 55531915
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168537
1-(3-methoxyphenyl)-3-[3-(4-methylphenyl)sulfonylpropanoylamino]thiourea
CID 9158195
3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9472102
3-(benzenesulfonyl)-N'-(2-methylphenyl)propanehydrazide
CID 11955824
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The IUPAC name of N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide (CID 9469934) is N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The canonical SMILES for N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide is Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)COc2ccccc2C)cc1.
What is the InChIKey of N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
The InChIKey is OXRUHAXBUONNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-7-9-16(10-8-14)27(24,25)12-11-18(22)20-21-19(23)13-26-17-6-4-3-5-15(17)2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide?
N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide has a molecular weight of 390.46 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 9469934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).