methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate

C12H11NO4S — CID 898058

IUPACmethyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(C)o1
InChIInChI=1S/C12H11NO4S/c1-7-3-4-9(17-7)11(14)13-8-5-6-18-10(8)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyMHMCQYNXOUFOJL-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.69
Rot. Bonds3

About methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 898058) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID898058
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Namemethyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(C)o1
InChIInChI=1S/C12H11NO4S/c1-7-3-4-9(17-7)11(14)13-8-5-6-18-10(8)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyMHMCQYNXOUFOJL-UHFFFAOYSA-N
XLogP2.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(5-methylfuran-2-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate (CID 898058) is methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(C)o1.
What is the InChIKey of methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is MHMCQYNXOUFOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-7-3-4-9(17-7)11(14)13-8-5-6-18-10(8)12(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methylfuran-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 898058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).