methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate

C16H14F2N2O5S — CID 4766669

IUPACmethyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2F)c(C(N)=O)c1C
InChIInChI=1S/C16H14F2N2O5S/c1-7-12(14(19)22)15(26-13(7)16(23)24-2)20-11(21)6-25-10-4-3-8(17)5-9(10)18/h3-5H,6H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyARBYXWHBALIVTA-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.24
Rot. Bonds6

About methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate

methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 4766669) has the molecular formula C16H14F2N2O5S and a molecular weight of 384.36 g/mol. Its IUPAC name is methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID4766669
Molecular FormulaC16H14F2N2O5S
Molecular Weight384.36 g/mol
Exact Mass384.06
IUPAC Namemethyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2F)c(C(N)=O)c1C
InChIInChI=1S/C16H14F2N2O5S/c1-7-12(14(19)22)15(26-13(7)16(23)24-2)20-11(21)6-25-10-4-3-8(17)5-9(10)18/h3-5H,6H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyARBYXWHBALIVTA-UHFFFAOYSA-N
XLogP2.24
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

dimethyl 5-[[2-(4-fluorophenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 7817867
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5-[(4-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131038
ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 7521258
dimethyl 5-[[2-(2-formylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 7762726
ethyl 5-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 55327356
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 3482744
dimethyl 5-[[2-(5-chloro-2-methoxybenzoyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 2614722
methyl 5-carbamoyl-4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 4279333
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
CID 47085137
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 969209
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
4-O-ethyl 2-O-methyl 3-methyl-5-[(2-phenoxyacetyl)amino]thiophene-2,4-dicarboxylate
CID 1326259

Frequently Asked Questions

What is the IUPAC name of methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate (CID 4766669) is methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate is COC(=O)c1sc(NC(=O)COc2ccc(F)cc2F)c(C(N)=O)c1C.
What is the InChIKey of methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is ARBYXWHBALIVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O5S/c1-7-12(14(19)22)15(26-13(7)16(23)24-2)20-11(21)6-25-10-4-3-8(17)5-9(10)18/h3-5H,6H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate?
methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 384.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-carbamoyl-5-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 4766669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).