3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide

C19H22N2O5S — CID 9472102

IUPAC3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-15-8-10-16(11-9-15)26-14-19(23)21-20-18(22)12-13-27(24,25)17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyQKZVUHGENFSLKP-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.64
Rot. Bonds8

About 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide

3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide (PubChem CID 9472102) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
PubChem CID9472102
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-15-8-10-16(11-9-15)26-14-19(23)21-20-18(22)12-13-27(24,25)17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyQKZVUHGENFSLKP-UHFFFAOYSA-N
XLogP1.64
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.64
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

1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
3-ethoxy-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 17357896
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide
CID 9472040
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
N'-[2-(2-methylphenoxy)acetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 9469934
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide (CID 9472102) is 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide is CCc1ccc(OCC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The InChIKey is QKZVUHGENFSLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-15-8-10-16(11-9-15)26-14-19(23)21-20-18(22)12-13-27(24,25)17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide has a molecular weight of 390.46 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 9472102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).