5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide

C15H9ClF3NOS — CID 90550637

IUPAC5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
SMILESO=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1
InChIInChI=1S/C15H9ClF3NOS/c16-13-7-6-12(22-13)14(21)20-8-2-4-10-3-1-5-11(9-10)15(17,18)19/h1,3,5-7,9H,8H2,(H,20,21)
InChIKeyJPLQXHJJAAOWHG-UHFFFAOYSA-N
MW343.76 g/mol
LogP4.20
Rot. Bonds2

About 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide

5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide (PubChem CID 90550637) has the molecular formula C15H9ClF3NOS and a molecular weight of 343.76 g/mol. Its IUPAC name is 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
PubChem CID90550637
Molecular FormulaC15H9ClF3NOS
Molecular Weight343.76 g/mol
Exact Mass343.00
IUPAC Name5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
SMILESO=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1
InChIInChI=1S/C15H9ClF3NOS/c16-13-7-6-12(22-13)14(21)20-8-2-4-10-3-1-5-11(9-10)15(17,18)19/h1,3,5-7,9H,8H2,(H,20,21)
InChIKeyJPLQXHJJAAOWHG-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]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

Related Compounds

(E)-3-(5-chlorothiophen-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]prop-2-enamide
CID 24676799
2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31825072
2-(thiophene-2-carbonyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31825077
2-acetamido-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,3-thiazole-4-carboxamide
CID 39058915
2-(4-chlorophenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,3-thiazole-4-carboxamide
CID 18208187
2-(3-methylphenyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550585
2-bromo-4-fluoro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 18272856
4-(methylsulfamoyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 18287038
4-chloro-N-[3-oxo-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]propyl]benzamide
CID 24686021
N-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 18266632
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 24676795
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide (CID 90550637) is 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide is O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide?
The InChIKey is JPLQXHJJAAOWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NOS/c16-13-7-6-12(22-13)14(21)20-8-2-4-10-3-1-5-11(9-10)15(17,18)19/h1,3,5-7,9H,8H2,(H,20,21).
What are the key properties of 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide?
5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide has a molecular weight of 343.76 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide is sourced from PubChem (CID 90550637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).