methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate

C14H11Cl2NO4S — CID 1211555

IUPACmethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c1-20-14(19)13-10(4-5-22-13)17-12(18)7-21-11-3-2-8(15)6-9(11)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyWEEJUCACCRWPAB-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.86
Rot. Bonds5

About methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate (PubChem CID 1211555) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate
PubChem CID1211555
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Namemethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c1-20-14(19)13-10(4-5-22-13)17-12(18)7-21-11-3-2-8(15)6-9(11)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyWEEJUCACCRWPAB-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]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

3-[[2-(2-Chloro-4-fluorophenoxy)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 2223181
Methyl 3-{[(2-chlorophenoxy)acetyl]amino}thiophene-2-carboxylate
CID 831664
Methyl 3-{[(4-chlorophenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 874347
Methyl 3-[(2-phenoxybutanoyl)amino]-2-thiophenecarboxylate
CID 2931366
Methyl 3-{[2-(2-chloro-4-nitrophenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 3851994
Methyl 2-(2-(2,4-dichlorophenoxy)acetamido)thiophene-3-carboxylate
CID 7164071
Methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate
CID 17414423
Methyl 3-[[2-(2-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate
CID 17419477
Thiophene-2-carboxylic acid, 3-[2-(4-fluorophenoxy)acetylamino]-, methyl ester
CID 1505332
4-[[2-(4-Chloro-3-fluorophenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 16068476
Rac-4-[2-(3,4-dichloro-phenoxy)-2-fluoro-acetylamino]-thiophene-3-carboxylic acid
CID 16068688
Methyl 2-{[(2,4-dichlorophenoxy)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 2165543

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate (CID 1211555) is methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is WEEJUCACCRWPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c1-20-14(19)13-10(4-5-22-13)17-12(18)7-21-11-3-2-8(15)6-9(11)16/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 360.22 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 1211555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).