ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate

C14H14N2O5S — CID 108733797

IUPACethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2cccs2)c1C(N)=O
InChIInChI=1S/C14H14N2O5S/c1-3-20-14(19)9-7(2)21-13(10(9)11(15)17)16-12(18)8-5-4-6-22-8/h4-6H,3H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyVIVLDFDNDCPCEW-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.18
Rot. Bonds5

About ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate

ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate (PubChem CID 108733797) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
PubChem CID108733797
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Nameethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)c2cccs2)c1C(N)=O
InChIInChI=1S/C14H14N2O5S/c1-3-20-14(19)9-7(2)21-13(10(9)11(15)17)16-12(18)8-5-4-6-22-8/h4-6H,3H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyVIVLDFDNDCPCEW-UHFFFAOYSA-N
XLogP2.18
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-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

ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-5-[[(Z)-2,3-diphenylprop-2-enoyl]amino]-2-methylfuran-3-carboxylate
CID 108757090
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
ethyl 4-carbamoyl-2-methyl-5-(pyrazine-2-carbonylamino)furan-3-carboxylate
CID 108733786
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
ethyl 4-carbamoyl-2-methyl-5-[(5-oxo-5-phenylpentanoyl)amino]furan-3-carboxylate
CID 108733760
ethyl 4-[[6-(thiophene-2-carbonylamino)pyridazin-3-yl]amino]benzoate
CID 113050437
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9229093
[2-[(3-carbamoyl-4-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8644159

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate (CID 108733797) is ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)c2cccs2)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate?
The InChIKey is VIVLDFDNDCPCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-3-20-14(19)9-7(2)21-13(10(9)11(15)17)16-12(18)8-5-4-6-22-8/h4-6H,3H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate?
ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate is sourced from PubChem (CID 108733797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).