N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide

C14H12F4N2O3S2 — CID 60556274

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H12F4N2O3S2/c15-10-4-3-9(11(6-10)14(16,17)18)7-19-12(21)8-20-25(22,23)13-2-1-5-24-13/h1-6,20H,7-8H2,(H,19,21)
InChIKeyWKJJCLTVFDZFDZ-UHFFFAOYSA-N
MW396.39 g/mol
LogP2.50
Rot. Bonds6

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 60556274) has the molecular formula C14H12F4N2O3S2 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID60556274
Molecular FormulaC14H12F4N2O3S2
Molecular Weight396.39 g/mol
Exact Mass396.02
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H12F4N2O3S2/c15-10-4-3-9(11(6-10)14(16,17)18)7-19-12(21)8-20-25(22,23)13-2-1-5-24-13/h1-6,20H,7-8H2,(H,19,21)
InChIKeyWKJJCLTVFDZFDZ-UHFFFAOYSA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide 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 N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 60556274) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1cccs1)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is WKJJCLTVFDZFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O3S2/c15-10-4-3-9(11(6-10)14(16,17)18)7-19-12(21)8-20-25(22,23)13-2-1-5-24-13/h1-6,20H,7-8H2,(H,19,21).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 396.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 60556274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).