N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide

C13H18N2O2S — CID 2970980

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCN1CCCC1=O
InChIInChI=1S/C13H18N2O2S/c16-12(10-11-4-2-9-18-11)14-6-3-8-15-7-1-5-13(15)17/h2,4,9H,1,3,5-8,10H2,(H,14,16)
InChIKeyQGQQSKKGJWEPGY-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.42
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 2970980) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide
PubChem CID2970980
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCN1CCCC1=O
InChIInChI=1S/C13H18N2O2S/c16-12(10-11-4-2-9-18-11)14-6-3-8-15-7-1-5-13(15)17/h2,4,9H,1,3,5-8,10H2,(H,14,16)
InChIKeyQGQQSKKGJWEPGY-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide (CID 2970980) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCCN1CCCC1=O.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is QGQQSKKGJWEPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12(10-11-4-2-9-18-11)14-6-3-8-15-7-1-5-13(15)17/h2,4,9H,1,3,5-8,10H2,(H,14,16).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2970980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).