2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide

C18H22N2O3S — CID 24547272

IUPAC2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)CCc2cccs2)c1C
InChIInChI=1S/C18H22N2O3S/c1-12-6-4-8-16(13(12)2)23-14(3)18(22)20-19-17(21)10-9-15-7-5-11-24-15/h4-8,11,14H,9-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXVVBJXQMGLATCT-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.91
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide

2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide (PubChem CID 24547272) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide
PubChem CID24547272
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)CCc2cccs2)c1C
InChIInChI=1S/C18H22N2O3S/c1-12-6-4-8-16(13(12)2)23-14(3)18(22)20-19-17(21)10-9-15-7-5-11-24-15/h4-8,11,14H,9-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyXVVBJXQMGLATCT-UHFFFAOYSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,3-dimethylphenoxy)propanoyl]pentanehydrazide
CID 43004014
N'-[2-(2,3-dimethylphenoxy)propanoyl]hexanehydrazide
CID 43008320
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
CID 55380671
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
CID 40611154
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
5-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56546624
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544
(2S)-2-(2,3-dimethylphenoxy)-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]propanehydrazide
CID 9088849
[(2S,3S)-1-[2-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9425353
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethoxyphenyl)acetyl]propanehydrazide
CID 78780492
2-(2,3-dimethylphenoxy)-N'-[2-(2-methoxy-5-methylphenyl)acetyl]propanehydrazide
CID 45354022

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide (CID 24547272) is 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)CCc2cccs2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide?
The InChIKey is XVVBJXQMGLATCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-6-4-8-16(13(12)2)23-14(3)18(22)20-19-17(21)10-9-15-7-5-11-24-15/h4-8,11,14H,9-10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide?
2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide has a molecular weight of 346.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N'-(3-thiophen-2-ylpropanoyl)propanehydrazide is sourced from PubChem (CID 24547272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).