ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C23H22N2O7 — CID 2545865

IUPACethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1C
InChIInChI=1S/C23H22N2O7/c1-4-30-23(29)19-13(2)20(24-14(19)3)17(26)12-32-22(28)15-8-5-6-9-16(15)25-21(27)18-10-7-11-31-18/h5-11,24H,4,12H2,1-3H3,(H,25,27)
InChIKeyNFJSJDPZIWMCCE-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.69
Rot. Bonds8

About ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 2545865) has the molecular formula C23H22N2O7 and a molecular weight of 438.44 g/mol. Its IUPAC name is ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID2545865
Molecular FormulaC23H22N2O7
Molecular Weight438.44 g/mol
Exact Mass438.14
IUPAC Nameethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1C
InChIInChI=1S/C23H22N2O7/c1-4-30-23(29)19-13(2)20(24-14(19)3)17(26)12-32-22(28)15-8-5-6-9-16(15)25-21(27)18-10-7-11-31-18/h5-11,24H,4,12H2,1-3H3,(H,25,27)
InChIKeyNFJSJDPZIWMCCE-UHFFFAOYSA-N
XLogP3.69
TPSA127.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 2545865) is ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1C.
What is the InChIKey of ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is NFJSJDPZIWMCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7/c1-4-30-23(29)19-13(2)20(24-14(19)3)17(26)12-32-22(28)15-8-5-6-9-16(15)25-21(27)18-10-7-11-31-18/h5-11,24H,4,12H2,1-3H3,(H,25,27).
What are the key properties of ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 438.44 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 2545865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).