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

C10H9BrF3NOS — CID 54984141

IUPAC5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H9BrF3NOS/c11-8-4-3-7(17-8)9(16)15(6-1-2-6)5-10(12,13)14/h3-4,6H,1-2,5H2
InChIKeyQVBYHYGRAVDWKB-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.68
Rot. Bonds3

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

5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 54984141) has the molecular formula C10H9BrF3NOS and a molecular weight of 328.15 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID54984141
Molecular FormulaC10H9BrF3NOS
Molecular Weight328.15 g/mol
Exact Mass326.95
IUPAC Name5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H9BrF3NOS/c11-8-4-3-7(17-8)9(16)15(6-1-2-6)5-10(12,13)14/h3-4,6H,1-2,5H2
InChIKeyQVBYHYGRAVDWKB-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-cyclopropyl-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-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 54984141) is 5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(c1ccc(Br)s1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is QVBYHYGRAVDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NOS/c11-8-4-3-7(17-8)9(16)15(6-1-2-6)5-10(12,13)14/h3-4,6H,1-2,5H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 328.15 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 54984141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).