5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C9H9BrF3NO2S — CID 61075976

IUPAC5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9BrF3NO2S/c10-7-2-1-6(17-7)8(16)14(3-4-15)5-9(11,12)13/h1-2,15H,3-5H2
InChIKeyMQFXRSROFCXFLL-UHFFFAOYSA-N
MW332.14 g/mol
LogP2.51
Rot. Bonds4

About 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61075976) has the molecular formula C9H9BrF3NO2S and a molecular weight of 332.14 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61075976
Molecular FormulaC9H9BrF3NO2S
Molecular Weight332.14 g/mol
Exact Mass330.95
IUPAC Name5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9BrF3NO2S/c10-7-2-1-6(17-7)8(16)14(3-4-15)5-9(11,12)13/h1-2,15H,3-5H2
InChIKeyMQFXRSROFCXFLL-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)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 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61075976) is 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(c1ccc(Br)s1)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is MQFXRSROFCXFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2S/c10-7-2-1-6(17-7)8(16)14(3-4-15)5-9(11,12)13/h1-2,15H,3-5H2.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 332.14 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61075976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).