3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C23H26F3N3O6S2 — CID 58746752

IUPAC3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(C)(C)N1C(=O)CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C(N)=O)cc2)S1(=O)=O
InChIInChI=1S/C23H26F3N3O6S2/c1-22(2,3)29-20(30)13-19(37(29,34)35)15-9-7-14(8-10-15)11-18(21(27)31)28-36(32,33)17-6-4-5-16(12-17)23(24,25)26/h4-10,12,18-19,28H,11,13H2,1-3H3,(H2,27,31)
InChIKeyHTYPWYPPOZVSTD-UHFFFAOYSA-N
MW561.60 g/mol
LogP2.48
Rot. Bonds7

About 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 58746752) has the molecular formula C23H26F3N3O6S2 and a molecular weight of 561.60 g/mol. Its IUPAC name is 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID58746752
Molecular FormulaC23H26F3N3O6S2
Molecular Weight561.60 g/mol
Exact Mass561.12
IUPAC Name3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(C)(C)N1C(=O)CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C(N)=O)cc2)S1(=O)=O
InChIInChI=1S/C23H26F3N3O6S2/c1-22(2,3)29-20(30)13-19(37(29,34)35)15-9-7-14(8-10-15)11-18(21(27)31)28-36(32,33)17-6-4-5-16(12-17)23(24,25)26/h4-10,12,18-19,28H,11,13H2,1-3H3,(H2,27,31)
InChIKeyHTYPWYPPOZVSTD-UHFFFAOYSA-N
XLogP2.48
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.60
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide 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 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 58746752) is 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CC(C)(C)N1C(=O)CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C(N)=O)cc2)S1(=O)=O.
What is the InChIKey of 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is HTYPWYPPOZVSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O6S2/c1-22(2,3)29-20(30)13-19(37(29,34)35)15-9-7-14(8-10-15)11-18(21(27)31)28-36(32,33)17-6-4-5-16(12-17)23(24,25)26/h4-10,12,18-19,28H,11,13H2,1-3H3,(H2,27,31).
What are the key properties of 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 561.60 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 58746752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).