[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

C23H20N2O5S — CID 27265870

IUPAC[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H20N2O5S/c26-18(14-9-17(24-11-14)22(27)25-7-3-4-8-25)13-30-23(28)20-10-15-12-29-19-6-2-1-5-16(19)21(15)31-20/h1-2,5-6,9-11,24H,3-4,7-8,12-13H2
InChIKeyNWPCCLBLJOZWEA-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.91
Rot. Bonds5

About [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 27265870) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID27265870
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H20N2O5S/c26-18(14-9-17(24-11-14)22(27)25-7-3-4-8-25)13-30-23(28)20-10-15-12-29-19-6-2-1-5-16(19)21(15)31-20/h1-2,5-6,9-11,24H,3-4,7-8,12-13H2
InChIKeyNWPCCLBLJOZWEA-UHFFFAOYSA-N
XLogP3.91
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-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

[2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253090
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104061
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253191
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621400
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621393
[2-(tert-butylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253097
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-bromobenzoate
CID 40755229
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41228103
[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253215
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-carbamoylbenzoate
CID 31805396
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-hydroxybenzoate
CID 40755615
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7715785

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (CID 27265870) is [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is NWPCCLBLJOZWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c26-18(14-9-17(24-11-14)22(27)25-7-3-4-8-25)13-30-23(28)20-10-15-12-29-19-6-2-1-5-16(19)21(15)31-20/h1-2,5-6,9-11,24H,3-4,7-8,12-13H2.
What are the key properties of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 436.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 27265870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).