4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

C17H23N3O2S — CID 46156325

IUPAC4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESC/C=C/Cn1c(C(=O)NCCN2CCOCC2)cc2sccc21
InChIInChI=1S/C17H23N3O2S/c1-2-3-6-20-14-4-12-23-16(14)13-15(20)17(21)18-5-7-19-8-10-22-11-9-19/h2-4,12-13H,5-11H2,1H3,(H,18,21)/b3-2+
InChIKeyGQRUAXMVUZASDO-NSCUHMNNSA-N
MW333.46 g/mol
LogP2.34
Rot. Bonds6

About 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46156325) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46156325
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESC/C=C/Cn1c(C(=O)NCCN2CCOCC2)cc2sccc21
InChIInChI=1S/C17H23N3O2S/c1-2-3-6-20-14-4-12-23-16(14)13-15(20)17(21)18-5-7-19-8-10-22-11-9-19/h2-4,12-13H,5-11H2,1H3,(H,18,21)/b3-2+
InChIKeyGQRUAXMVUZASDO-NSCUHMNNSA-N
XLogP2.34
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46156325) is 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is C/C=C/Cn1c(C(=O)NCCN2CCOCC2)cc2sccc21.
What is the InChIKey of 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GQRUAXMVUZASDO-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-3-6-20-14-4-12-23-16(14)13-15(20)17(21)18-5-7-19-8-10-22-11-9-19/h2-4,12-13H,5-11H2,1H3,(H,18,21)/b3-2+.
What are the key properties of 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46156325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).