methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate

C18H13Cl2NO4S — CID 2764730

IUPACmethyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C=NOCc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H13Cl2NO4S/c1-23-18(22)17-14(6-7-26-17)16-5-4-13(25-16)9-21-24-10-11-2-3-12(19)8-15(11)20/h2-9H,10H2,1H3
InChIKeyDPAXQIMKYKBABP-UHFFFAOYSA-N
MW410.28 g/mol
LogP5.65
Rot. Bonds6

About methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate

methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate (PubChem CID 2764730) has the molecular formula C18H13Cl2NO4S and a molecular weight of 410.28 g/mol. Its IUPAC name is methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate
PubChem CID2764730
Molecular FormulaC18H13Cl2NO4S
Molecular Weight410.28 g/mol
Exact Mass408.99
IUPAC Namemethyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C=NOCc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H13Cl2NO4S/c1-23-18(22)17-14(6-7-26-17)16-5-4-13(25-16)9-21-24-10-11-2-3-12(19)8-15(11)20/h2-9H,10H2,1H3
InChIKeyDPAXQIMKYKBABP-UHFFFAOYSA-N
XLogP5.65
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.28
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate 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

methyl 3-[5-[[(2,4-dichlorophenyl)methoxyamino]methyl]furan-2-yl]thiophene-2-carboxylate
CID 91873057
methyl 3-[5-[N-[(2,4-dichlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]furan-2-yl]thiophene-2-carboxylate
CID 2739701
methyl 2-[5-[(Z)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoate
CID 5427183
methyl 4-[(E)-(2-chlorophenyl)methoxyiminomethyl]benzoate
CID 6905476
6-chloro-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]-3H-2-benzofuran-1-one
CID 134114772
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
1-[3-[(2,4-dichlorophenyl)methoxyimino]propanoylamino]-3-methylthiourea
CID 3372799
methyl 2-[5-[(4-chlorophenyl)iminomethyl]furan-2-yl]benzoate
CID 963942
methyl 4-chloro-3-[5-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6876376
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061806
N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657640
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 4312260

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate (CID 2764730) is methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(C=NOCc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate?
The InChIKey is DPAXQIMKYKBABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4S/c1-23-18(22)17-14(6-7-26-17)16-5-4-13(25-16)9-21-24-10-11-2-3-12(19)8-15(11)20/h2-9H,10H2,1H3.
What are the key properties of methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate?
methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate has a molecular weight of 410.28 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[(2,4-dichlorophenyl)methoxyiminomethyl]furan-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 2764730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).