N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C15H12ClF3N2O2S — CID 24982535

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cccs1
InChIInChI=1S/C15H12ClF3N2O2S/c1-21(14(23)12-3-2-6-24-12)8-13(22)20-9-4-5-11(16)10(7-9)15(17,18)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyZLYZAOVZVXVKRY-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.13
Rot. Bonds4

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 24982535) has the molecular formula C15H12ClF3N2O2S and a molecular weight of 376.79 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID24982535
Molecular FormulaC15H12ClF3N2O2S
Molecular Weight376.79 g/mol
Exact Mass376.03
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cccs1
InChIInChI=1S/C15H12ClF3N2O2S/c1-21(14(23)12-3-2-6-24-12)8-13(22)20-9-4-5-11(16)10(7-9)15(17,18)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyZLYZAOVZVXVKRY-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 24982535) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is ZLYZAOVZVXVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2S/c1-21(14(23)12-3-2-6-24-12)8-13(22)20-9-4-5-11(16)10(7-9)15(17,18)19/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 376.79 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 24982535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).