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

C14H12FNO4S — CID 17414423

IUPACmethyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1cccc(F)c1
InChIInChI=1S/C14H12FNO4S/c1-19-14(18)13-11(5-6-21-13)16-12(17)8-20-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyNWWFJAUMQYZYOS-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.69
Rot. Bonds5

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

methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate (PubChem CID 17414423) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate
PubChem CID17414423
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Namemethyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COc1cccc(F)c1
InChIInChI=1S/C14H12FNO4S/c1-19-14(18)13-11(5-6-21-13)16-12(17)8-20-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyNWWFJAUMQYZYOS-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(3-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
3-[[2-(2-Chloro-4-fluorophenoxy)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 2223181
Methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 25116544
Methyl 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 25116546
Methyl 3-[[2-(4-bromophenoxy)acetyl]amino]thiophene-2-carboxylate
CID 25117001
Methyl 3-({[4-(methoxycarbonyl)phenoxy]acetyl}amino)-2-thiophenecarboxylate
CID 972269
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-ethoxyphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818729
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate (CID 17414423) is methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)COc1cccc(F)c1.
What is the InChIKey of methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is NWWFJAUMQYZYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-19-14(18)13-11(5-6-21-13)16-12(17)8-20-10-4-2-3-9(15)7-10/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3-fluorophenoxy)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 17414423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).