ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate

C20H21N3O5S — CID 655865

IUPACethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H21N3O5S/c1-2-27-20(26)15-12-17-14(5-11-29-17)23(15)13-18(24)21-6-8-22(9-7-21)19(25)16-4-3-10-28-16/h3-5,10-12H,2,6-9,13H2,1H3
InChIKeyXGRVUOUXTAKBDC-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.46
Rot. Bonds5

About ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 655865) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID655865
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Nameethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sccc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H21N3O5S/c1-2-27-20(26)15-12-17-14(5-11-29-17)23(15)13-18(24)21-6-8-22(9-7-21)19(25)16-4-3-10-28-16/h3-5,10-12H,2,6-9,13H2,1H3
InChIKeyXGRVUOUXTAKBDC-UHFFFAOYSA-N
XLogP2.46
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438890
ethyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438921
furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
CID 3225269
ethyl 4-[2-(dimethylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438924
1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate
CID 59702117
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737584
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519893
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate (CID 655865) is ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sccc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is XGRVUOUXTAKBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-2-27-20(26)15-12-17-14(5-11-29-17)23(15)13-18(24)21-6-8-22(9-7-21)19(25)16-4-3-10-28-16/h3-5,10-12H,2,6-9,13H2,1H3.
What are the key properties of ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 415.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 655865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).