[(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate

C17H12Cl2N2O4S — CID 19296303

IUPAC[(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate
SMILESN/C(=N\OC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1cccs1
InChIInChI=1S/C17H12Cl2N2O4S/c18-10-3-5-13(12(19)8-10)23-9-11-4-6-14(24-11)17(22)25-21-16(20)15-2-1-7-26-15/h1-8H,9H2,(H2,20,21)
InChIKeyRZGGBYNWBQYGMR-UHFFFAOYSA-N
MW411.27 g/mol
LogP4.70
Rot. Bonds6

About [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate

[(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate (PubChem CID 19296303) has the molecular formula C17H12Cl2N2O4S and a molecular weight of 411.27 g/mol. Its IUPAC name is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate
PubChem CID19296303
Molecular FormulaC17H12Cl2N2O4S
Molecular Weight411.27 g/mol
Exact Mass409.99
IUPAC Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate
SMILESN/C(=N\OC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1cccs1
InChIInChI=1S/C17H12Cl2N2O4S/c18-10-3-5-13(12(19)8-10)23-9-11-4-6-14(24-11)17(22)25-21-16(20)15-2-1-7-26-15/h1-8H,9H2,(H2,20,21)
InChIKeyRZGGBYNWBQYGMR-UHFFFAOYSA-N
XLogP4.70
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate with MolForge

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Related Compounds

[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxylate
CID 19296107
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate
CID 19296020
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxylate
CID 19291920
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxylate
CID 19298384
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 5-[(4-nitrophenoxy)methyl]furan-2-carboxylate
CID 19296000
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(2,4-dimethylphenoxy)methyl]benzoate
CID 19324279
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-[(2,4-dichlorophenoxy)methyl]benzoate
CID 19297987
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate (CID 19296303) is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate is N/C(=N\OC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1cccs1.
What is the InChIKey of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is RZGGBYNWBQYGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4S/c18-10-3-5-13(12(19)8-10)23-9-11-4-6-14(24-11)17(22)25-21-16(20)15-2-1-7-26-15/h1-8H,9H2,(H2,20,21).
What are the key properties of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate?
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 411.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 19296303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).