5-ethyl-N-pentan-2-ylthiophene-3-carboxamide

C12H19NOS — CID 3664712

IUPAC5-ethyl-N-pentan-2-ylthiophene-3-carboxamide
SMILESCCCC(C)NC(=O)c1csc(CC)c1
InChIInChI=1S/C12H19NOS/c1-4-6-9(3)13-12(14)10-7-11(5-2)15-8-10/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyCMPBEEMDPFZNJF-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.23
Rot. Bonds5

About 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide

5-ethyl-N-pentan-2-ylthiophene-3-carboxamide (PubChem CID 3664712) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-pentan-2-ylthiophene-3-carboxamide
PubChem CID3664712
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name5-ethyl-N-pentan-2-ylthiophene-3-carboxamide
SMILESCCCC(C)NC(=O)c1csc(CC)c1
InChIInChI=1S/C12H19NOS/c1-4-6-9(3)13-12(14)10-7-11(5-2)15-8-10/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyCMPBEEMDPFZNJF-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-N-pentan-2-ylthiophene-3-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 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide (CID 3664712) is 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide is CCCC(C)NC(=O)c1csc(CC)c1.
What is the InChIKey of 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide?
The InChIKey is CMPBEEMDPFZNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-6-9(3)13-12(14)10-7-11(5-2)15-8-10/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide?
5-ethyl-N-pentan-2-ylthiophene-3-carboxamide has a molecular weight of 225.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-pentan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 3664712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).