(E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid

C17H18N2O5S — CID 2422668

IUPAC(E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid
SMILESCOc1ccc(OCC(=O)NN/C(=C/CC(=O)O)c2cccs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-12-4-6-13(7-5-12)24-11-16(20)19-18-14(8-9-17(21)22)15-3-2-10-25-15/h2-8,10,18H,9,11H2,1H3,(H,19,20)(H,21,22)/b14-8+
InChIKeyQCVOIGKPLVTUJH-RIYZIHGNSA-N
MW362.41 g/mol
LogP2.27
Rot. Bonds9

About (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid

(E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid (PubChem CID 2422668) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid.

Molecular Properties

Compound Name(E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid
PubChem CID2422668
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid
SMILESCOc1ccc(OCC(=O)NN/C(=C/CC(=O)O)c2cccs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-12-4-6-13(7-5-12)24-11-16(20)19-18-14(8-9-17(21)22)15-3-2-10-25-15/h2-8,10,18H,9,11H2,1H3,(H,19,20)(H,21,22)/b14-8+
InChIKeyQCVOIGKPLVTUJH-RIYZIHGNSA-N
XLogP2.27
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
CID 6145286
5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949711
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
2-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-2-oxo-N-phenylacetamide
CID 2372591
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
N-[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7601232
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
CID 3876775
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
(Z)-3-(4-methoxyphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 6390190
2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 35345891
N'-[2-(4-methoxyphenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163562

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid?
The IUPAC name of (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid (CID 2422668) is (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid.
What is the SMILES notation for (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid?
The canonical SMILES for (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid is COc1ccc(OCC(=O)NN/C(=C/CC(=O)O)c2cccs2)cc1.
What is the InChIKey of (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid?
The InChIKey is QCVOIGKPLVTUJH-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-12-4-6-13(7-5-12)24-11-16(20)19-18-14(8-9-17(21)22)15-3-2-10-25-15/h2-8,10,18H,9,11H2,1H3,(H,19,20)(H,21,22)/b14-8+.
What are the key properties of (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid?
(E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid has a molecular weight of 362.41 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid is sourced from PubChem (CID 2422668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).