2-(butanoylamino)thiophene-3-carboxamide

C9H12N2O2S — CID 2970903

IUPAC2-(butanoylamino)thiophene-3-carboxamide
SMILESCCCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12)
InChIKeyQFUOJZBSCYPNSJ-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.59
Rot. Bonds4

About 2-(butanoylamino)thiophene-3-carboxamide

2-(butanoylamino)thiophene-3-carboxamide (PubChem CID 2970903) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(butanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(butanoylamino)thiophene-3-carboxamide
PubChem CID2970903
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(butanoylamino)thiophene-3-carboxamide
SMILESCCCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12)
InChIKeyQFUOJZBSCYPNSJ-UHFFFAOYSA-N
XLogP1.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(butanoylamino)thiophene-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 2-(butanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(butanoylamino)thiophene-3-carboxamide (CID 2970903) is 2-(butanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(butanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(butanoylamino)thiophene-3-carboxamide is CCCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-(butanoylamino)thiophene-3-carboxamide?
The InChIKey is QFUOJZBSCYPNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 2-(butanoylamino)thiophene-3-carboxamide?
2-(butanoylamino)thiophene-3-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 2970903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).