methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate

C11H9NO4S — CID 2766449

IUPACmethyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C(N)=O)o1
InChIInChI=1S/C11H9NO4S/c1-15-11(14)9-6(4-5-17-9)7-2-3-8(16-7)10(12)13/h2-5H,1H3,(H2,12,13)
InChIKeyBMFPTCJZPSYBKD-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.89
Rot. Bonds3

About methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate

methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate (PubChem CID 2766449) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate
PubChem CID2766449
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Namemethyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C(N)=O)o1
InChIInChI=1S/C11H9NO4S/c1-15-11(14)9-6(4-5-17-9)7-2-3-8(16-7)10(12)13/h2-5H,1H3,(H2,12,13)
InChIKeyBMFPTCJZPSYBKD-UHFFFAOYSA-N
XLogP1.89
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(5-carbamoylfuran-2-yl)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 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate
CID 155524145
Methyl 3-[5-(4-morpholinylcarbonyl)-2-furanyl]-2-thiophenecarboxylate
CID 2766429
3-[[5-(4-Fluorophenyl)thiophen-2-yl]methyl]furan-2-carboxamide
CID 166141125
Methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate
CID 2739697
5-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
CID 9428023
Methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-2-thiophen-3-ylacetate
CID 154862297
methyl 3-[5-[(E)-3-(dimethylamino)prop-2-enoyl]furan-2-yl]thiophene-2-carboxylate
CID 45108656
Methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate
CID 2766430
Methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate
CID 2766431
Methyl 3-(5-formylfuran-2-yl)thiophene-2-carboxylate
CID 2797068
3-Thiophen-2-ylfuran-2-carbohydrazide
CID 68862053
5-Thiophen-3-ylfuran-2-carboxamide
CID 69503383

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate (CID 2766449) is methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(C(N)=O)o1.
What is the InChIKey of methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate?
The InChIKey is BMFPTCJZPSYBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c1-15-11(14)9-6(4-5-17-9)7-2-3-8(16-7)10(12)13/h2-5H,1H3,(H2,12,13).
What are the key properties of methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate?
methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-carbamoylfuran-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2766449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).