2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

C13H12F3N3O4S2 — CID 24597811

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C13H12F3N3O4S2/c14-13(15,16)8-1-3-11(21)19(6-8)7-10(20)18-5-9-2-4-12(24-9)25(17,22)23/h1-4,6H,5,7H2,(H,18,20)(H2,17,22,23)
InChIKeyGDETZEVFYPWEHS-UHFFFAOYSA-N
MW395.38 g/mol
LogP0.89
Rot. Bonds5

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (PubChem CID 24597811) has the molecular formula C13H12F3N3O4S2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
PubChem CID24597811
Molecular FormulaC13H12F3N3O4S2
Molecular Weight395.38 g/mol
Exact Mass395.02
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C13H12F3N3O4S2/c14-13(15,16)8-1-3-11(21)19(6-8)7-10(20)18-5-9-2-4-12(24-9)25(17,22)23/h1-4,6H,5,7H2,(H,18,20)(H2,17,22,23)
InChIKeyGDETZEVFYPWEHS-UHFFFAOYSA-N
XLogP0.89
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]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 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (CID 24597811) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)s1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The InChIKey is GDETZEVFYPWEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O4S2/c14-13(15,16)8-1-3-11(21)19(6-8)7-10(20)18-5-9-2-4-12(24-9)25(17,22)23/h1-4,6H,5,7H2,(H,18,20)(H2,17,22,23).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide has a molecular weight of 395.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 24597811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).