[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate

C14H12Cl2N2O3S — CID 2903284

IUPAC[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate
SMILESNC(Cc1cccs1)=NOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3S/c15-9-3-4-12(11(16)6-9)20-8-14(19)21-18-13(17)7-10-2-1-5-22-10/h1-6H,7-8H2,(H2,17,18)
InChIKeyQORBNLILNYGALC-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.49
Rot. Bonds6

About [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate

[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 2903284) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate
PubChem CID2903284
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Name[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate
SMILESNC(Cc1cccs1)=NOC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3S/c15-9-3-4-12(11(16)6-9)20-8-14(19)21-18-13(17)7-10-2-1-5-22-10/h1-6H,7-8H2,(H2,17,18)
InChIKeyQORBNLILNYGALC-UHFFFAOYSA-N
XLogP3.49
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
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)amino] 2-(2,4-dichlorophenoxy)acetate 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

[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate
CID 5348014
[[amino(phenyl)methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 170771225
[(Z)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 134101638
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 1366597
(1-thiophen-2-ylethylideneamino) 2-(4-chloro-2-methylphenoxy)acetate
CID 4928280
2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582593
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
[N-[2-(2,4-dichlorophenoxy)acetyl]oxy-C-methylcarbonimidoyl]-ethoxyphosphinic acid
CID 173409696
[(E)-[amino-[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 2-(2,4-dichlorophenoxy)acetate
CID 28958492
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249

Frequently Asked Questions

What is the IUPAC name of [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate (CID 2903284) is [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate is NC(Cc1cccs1)=NOC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is QORBNLILNYGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c15-9-3-4-12(11(16)6-9)20-8-14(19)21-18-13(17)7-10-2-1-5-22-10/h1-6H,7-8H2,(H2,17,18).
What are the key properties of [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate?
[(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 359.23 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-amino-2-thiophen-2-ylethylidene)amino] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 2903284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).