4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide

C15H20N2O3S — CID 2533045

IUPAC4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCCCN1CCCC1=O
InChIInChI=1S/C15H20N2O3S/c18-12(13-4-2-11-21-13)6-7-14(19)16-8-3-10-17-9-1-5-15(17)20/h2,4,11H,1,3,5-10H2,(H,16,19)
InChIKeyDCCLQKSUXVWVLE-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.84
Rot. Bonds8

About 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide

4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide (PubChem CID 2533045) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide
PubChem CID2533045
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCCCN1CCCC1=O
InChIInChI=1S/C15H20N2O3S/c18-12(13-4-2-11-21-13)6-7-14(19)16-8-3-10-17-9-1-5-15(17)20/h2,4,11H,1,3,5-10H2,(H,16,19)
InChIKeyDCCLQKSUXVWVLE-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide 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 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide (CID 2533045) is 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCCCN1CCCC1=O.
What is the InChIKey of 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide?
The InChIKey is DCCLQKSUXVWVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-12(13-4-2-11-21-13)6-7-14(19)16-8-3-10-17-9-1-5-15(17)20/h2,4,11H,1,3,5-10H2,(H,16,19).
What are the key properties of 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide?
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide has a molecular weight of 308.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2533045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).