(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium

C15H17N2O4S+ — CID 5078126

IUPAC(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium
SMILESCOc1ccc(OCC(=O)O[NH+]=C(N)Cc2cccs2)cc1
InChIInChI=1S/C15H16N2O4S/c1-19-11-4-6-12(7-5-11)20-10-15(18)21-17-14(16)9-13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H2,16,17)/p+1
InChIKeyPYPPMCKRUYFOPF-UHFFFAOYSA-O
MW321.38 g/mol
LogP0.27
Rot. Bonds7

About (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium

(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium (PubChem CID 5078126) has the molecular formula C15H17N2O4S+ and a molecular weight of 321.38 g/mol. Its IUPAC name is (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium.

Molecular Properties

Compound Name(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium
PubChem CID5078126
Molecular FormulaC15H17N2O4S+
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium
SMILESCOc1ccc(OCC(=O)O[NH+]=C(N)Cc2cccs2)cc1
InChIInChI=1S/C15H16N2O4S/c1-19-11-4-6-12(7-5-11)20-10-15(18)21-17-14(16)9-13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H2,16,17)/p+1
InChIKeyPYPPMCKRUYFOPF-UHFFFAOYSA-O
XLogP0.27
TPSA84.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium 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

[1-amino-2-(2-methoxyphenyl)ethylidene]-[2-(4-methylphenoxy)acetyl]oxyazanium
CID 4993866
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6242299
[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate
CID 5348014
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43175462
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891569
2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 163476137
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide
CID 162666509
1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
CID 117246169
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium?
The IUPAC name of (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium (CID 5078126) is (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium.
What is the SMILES notation for (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium?
The canonical SMILES for (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium is COc1ccc(OCC(=O)O[NH+]=C(N)Cc2cccs2)cc1.
What is the InChIKey of (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium?
The InChIKey is PYPPMCKRUYFOPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O4S/c1-19-11-4-6-12(7-5-11)20-10-15(18)21-17-14(16)9-13-3-2-8-22-13/h2-8H,9-10H2,1H3,(H2,16,17)/p+1.
What are the key properties of (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium?
(1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium has a molecular weight of 321.38 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-thiophen-2-ylethylidene)-[2-(4-methoxyphenoxy)acetyl]oxyazanium is sourced from PubChem (CID 5078126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).