5-ethyl-2-ethylsulfanylthiophene-3-carboxamide

C9H13NOS2 — CID 689992

IUPAC5-ethyl-2-ethylsulfanylthiophene-3-carboxamide
SMILESCCSc1sc(CC)cc1C(N)=O
InChIInChI=1S/C9H13NOS2/c1-3-6-5-7(8(10)11)9(13-6)12-4-2/h5H,3-4H2,1-2H3,(H2,10,11)
InChIKeyWKVWTXWHPFKMAK-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.52
Rot. Bonds4

About 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide

5-ethyl-2-ethylsulfanylthiophene-3-carboxamide (PubChem CID 689992) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-ethylsulfanylthiophene-3-carboxamide
PubChem CID689992
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name5-ethyl-2-ethylsulfanylthiophene-3-carboxamide
SMILESCCSc1sc(CC)cc1C(N)=O
InChIInChI=1S/C9H13NOS2/c1-3-6-5-7(8(10)11)9(13-6)12-4-2/h5H,3-4H2,1-2H3,(H2,10,11)
InChIKeyWKVWTXWHPFKMAK-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-ethylsulfanylthiophene-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-2-ethylsulfanylthiophene-3-carboxamide?
The IUPAC name of 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide (CID 689992) is 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide is CCSc1sc(CC)cc1C(N)=O.
What is the InChIKey of 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide?
The InChIKey is WKVWTXWHPFKMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-3-6-5-7(8(10)11)9(13-6)12-4-2/h5H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide?
5-ethyl-2-ethylsulfanylthiophene-3-carboxamide has a molecular weight of 215.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-ethylsulfanylthiophene-3-carboxamide is sourced from PubChem (CID 689992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).