N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide

C11H12N2OS — CID 5096643

IUPACN-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C11H12N2OS/c1-2-12-11(14)10-9(5-8-15-10)13-6-3-4-7-13/h3-8H,2H2,1H3,(H,12,14)
InChIKeyIRVILWZBEHFNML-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.29
Rot. Bonds3

About N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide

N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 5096643) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID5096643
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C11H12N2OS/c1-2-12-11(14)10-9(5-8-15-10)13-6-3-4-7-13/h3-8H,2H2,1H3,(H,12,14)
InChIKeyIRVILWZBEHFNML-UHFFFAOYSA-N
XLogP2.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide 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 N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide (CID 5096643) is N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide is CCNC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is IRVILWZBEHFNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-12-11(14)10-9(5-8-15-10)13-6-3-4-7-13/h3-8H,2H2,1H3,(H,12,14).
What are the key properties of N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide?
N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 220.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 5096643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).