2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide

C20H19F6N3O3S — CID 88950187

IUPAC2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide
SMILESCC(C)(C1CC(NC(=O)c2ccnc(C(F)(F)F)n2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6N3O3S/c1-18(2,33(31,32)14-5-3-4-11(10-14)19(21,22)23)12-8-13(9-12)28-16(30)15-6-7-27-17(29-15)20(24,25)26/h3-7,10,12-13H,8-9H2,1-2H3,(H,28,30)
InChIKeyGSAUQXOWHPCNAM-UHFFFAOYSA-N
MW495.45 g/mol
LogP4.28
Rot. Bonds5

About 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide

2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide (PubChem CID 88950187) has the molecular formula C20H19F6N3O3S and a molecular weight of 495.45 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide
PubChem CID88950187
Molecular FormulaC20H19F6N3O3S
Molecular Weight495.45 g/mol
Exact Mass495.11
IUPAC Name2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide
SMILESCC(C)(C1CC(NC(=O)c2ccnc(C(F)(F)F)n2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6N3O3S/c1-18(2,33(31,32)14-5-3-4-11(10-14)19(21,22)23)12-8-13(9-12)28-16(30)15-6-7-27-17(29-15)20(24,25)26/h3-7,10,12-13H,8-9H2,1-2H3,(H,28,30)
InChIKeyGSAUQXOWHPCNAM-UHFFFAOYSA-N
XLogP4.28
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-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 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide (CID 88950187) is 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide is CC(C)(C1CC(NC(=O)c2ccnc(C(F)(F)F)n2)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide?
The InChIKey is GSAUQXOWHPCNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N3O3S/c1-18(2,33(31,32)14-5-3-4-11(10-14)19(21,22)23)12-8-13(9-12)28-16(30)15-6-7-27-17(29-15)20(24,25)26/h3-7,10,12-13H,8-9H2,1-2H3,(H,28,30).
What are the key properties of 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide?
2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide has a molecular weight of 495.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 88950187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).