methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate

C14H11ClFNO4S — CID 2223181

IUPACmethyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClFNO4S/c1-20-14(19)13-10(4-5-22-13)17-12(18)7-21-11-3-2-8(16)6-9(11)15/h2-6H,7H2,1H3,(H,17,18)
InChIKeyHYOFEFOGCYEUEZ-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.34
Rot. Bonds5

About methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate (PubChem CID 2223181) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate
PubChem CID2223181
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC Namemethyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClFNO4S/c1-20-14(19)13-10(4-5-22-13)17-12(18)7-21-11-3-2-8(16)6-9(11)15/h2-6H,7H2,1H3,(H,17,18)
InChIKeyHYOFEFOGCYEUEZ-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(2-chloro-4-fluorophenoxy)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

Methyl 3-{[(3-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 1266472
Methyl 3-{[(2,4-dichlorophenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 1211555
Methyl 3-{[2-(4-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 3815224
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
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799214
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate (CID 2223181) is methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is HYOFEFOGCYEUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c1-20-14(19)13-10(4-5-22-13)17-12(18)7-21-11-3-2-8(16)6-9(11)15/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 343.76 g/mol, XLogP of 3.34, 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-chloro-4-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 2223181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).