dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

C18H20N2O6S — CID 9080610

IUPACdimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)CNc2ccccc2OC)c(C(=O)OC)c1C
InChIInChI=1S/C18H20N2O6S/c1-10-14(17(22)25-3)16(27-15(10)18(23)26-4)20-13(21)9-19-11-7-5-6-8-12(11)24-2/h5-8,19H,9H2,1-4H3,(H,20,21)
InChIKeyKNGKIDZWCFYQKK-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.69
Rot. Bonds7

About dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 9080610) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID9080610
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Namedimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)CNc2ccccc2OC)c(C(=O)OC)c1C
InChIInChI=1S/C18H20N2O6S/c1-10-14(17(22)25-3)16(27-15(10)18(23)26-4)20-13(21)9-19-11-7-5-6-8-12(11)24-2/h5-8,19H,9H2,1-4H3,(H,20,21)
InChIKeyKNGKIDZWCFYQKK-UHFFFAOYSA-N
XLogP2.69
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 3-methyl-5-[[2-(2-methylsulfanylanilino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 24562360
methyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1071074
dimethyl 5-[(2-benzamidoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 28694131
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071063
dimethyl 5-[[2-(2-formylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 7762726
4-O-ethyl 2-O-methyl 5-[(2-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 23935099
dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 39768575
dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 4008693
methyl 2-[(3-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071062
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate (CID 9080610) is dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)CNc2ccccc2OC)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is KNGKIDZWCFYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-10-14(17(22)25-3)16(27-15(10)18(23)26-4)20-13(21)9-19-11-7-5-6-8-12(11)24-2/h5-8,19H,9H2,1-4H3,(H,20,21).
What are the key properties of dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 392.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 9080610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).