(E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide

C15H16N2O2S — CID 142797844

IUPAC(E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide
SMILESC/C(=C(\Oc1ccccc1)C(=O)NN)c1ccc(C)s1
InChIInChI=1S/C15H16N2O2S/c1-10-8-9-13(20-10)11(2)14(15(18)17-16)19-12-6-4-3-5-7-12/h3-9H,16H2,1-2H3,(H,17,18)/b14-11+
InChIKeyCSQLWNZUKCTTRE-SDNWHVSQSA-N
MW288.37 g/mol
LogP2.86
Rot. Bonds4

About (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide

(E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide (PubChem CID 142797844) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide
PubChem CID142797844
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide
SMILESC/C(=C(\Oc1ccccc1)C(=O)NN)c1ccc(C)s1
InChIInChI=1S/C15H16N2O2S/c1-10-8-9-13(20-10)11(2)14(15(18)17-16)19-12-6-4-3-5-7-12/h3-9H,16H2,1-2H3,(H,17,18)/b14-11+
InChIKeyCSQLWNZUKCTTRE-SDNWHVSQSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide?
The IUPAC name of (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide (CID 142797844) is (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide.
What is the SMILES notation for (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide?
The canonical SMILES for (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide is C/C(=C(\Oc1ccccc1)C(=O)NN)c1ccc(C)s1.
What is the InChIKey of (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide?
The InChIKey is CSQLWNZUKCTTRE-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-8-9-13(20-10)11(2)14(15(18)17-16)19-12-6-4-3-5-7-12/h3-9H,16H2,1-2H3,(H,17,18)/b14-11+.
What are the key properties of (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide?
(E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide has a molecular weight of 288.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylthiophen-2-yl)-2-phenoxybut-2-enehydrazide is sourced from PubChem (CID 142797844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).