methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate

C16H16N2O5S — CID 2767923

IUPACmethyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1cccc1C(=O)C(=O)N1CCOCC1
InChIInChI=1S/C16H16N2O5S/c1-22-16(21)14-12(4-10-24-14)18-5-2-3-11(18)13(19)15(20)17-6-8-23-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyZEFFCQQIRORBPU-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.37
Rot. Bonds4

About methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate

methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate (PubChem CID 2767923) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate
PubChem CID2767923
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1cccc1C(=O)C(=O)N1CCOCC1
InChIInChI=1S/C16H16N2O5S/c1-22-16(21)14-12(4-10-24-14)18-5-2-3-11(18)13(19)15(20)17-6-8-23-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyZEFFCQQIRORBPU-UHFFFAOYSA-N
XLogP1.37
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-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 3-{2-[2-(2,6-dimethylmorpholino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767926
methyl 3-{2-[2-oxo-2-(1-pyrrolidinyl)acetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767924
methyl 3-{2-[(allylamino)carbonyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 3739207
methyl 3-{2-[(methylamino)carbonyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 3739388
methyl 3-[2-(morpholinocarbonyl)-1H-pyrrol-1-yl]-2-thiophenecarboxylate
CID 5185926
methyl 3-{2-[2-(4-fluoroanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767929
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629306
methyl 3-{2-[2-oxo-2-(propylamino)acetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767927
methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767928
methyl 3-{2-[(benzylamino)carbonyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 3847682
methyl 3-{3-[2-(dimethylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate
CID 4219415
methyl 3-{3-[2-(diethylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-4-methyl-2-thiophenecarboxylate
CID 4551760

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate (CID 2767923) is methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate is COC(=O)c1sccc1-n1cccc1C(=O)C(=O)N1CCOCC1.
What is the InChIKey of methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate?
The InChIKey is ZEFFCQQIRORBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-16(21)14-12(4-10-24-14)18-5-2-3-11(18)13(19)15(20)17-6-8-23-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate?
methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]thiophene-2-carboxylate is sourced from PubChem (CID 2767923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).