3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide

C10H13F2NO2S2 — CID 109468174

IUPAC3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESCCN(CCO)C(=O)c1sccc1SC(F)F
InChIInChI=1S/C10H13F2NO2S2/c1-2-13(4-5-14)9(15)8-7(3-6-16-8)17-10(11)12/h3,6,10,14H,2,4-5H2,1H3
InChIKeyQSBSEJUYAAIAFE-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.52
Rot. Bonds6

About 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide

3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 109468174) has the molecular formula C10H13F2NO2S2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID109468174
Molecular FormulaC10H13F2NO2S2
Molecular Weight281.35 g/mol
Exact Mass281.04
IUPAC Name3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESCCN(CCO)C(=O)c1sccc1SC(F)F
InChIInChI=1S/C10H13F2NO2S2/c1-2-13(4-5-14)9(15)8-7(3-6-16-8)17-10(11)12/h3,6,10,14H,2,4-5H2,1H3
InChIKeyQSBSEJUYAAIAFE-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-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 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide (CID 109468174) is 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide is CCN(CCO)C(=O)c1sccc1SC(F)F.
What is the InChIKey of 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is QSBSEJUYAAIAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S2/c1-2-13(4-5-14)9(15)8-7(3-6-16-8)17-10(11)12/h3,6,10,14H,2,4-5H2,1H3.
What are the key properties of 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide?
3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 281.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 109468174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).