N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

C36H42F6N4O7S3 — CID 161100841

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 161100841) has the molecular formula C36H42F6N4O7S3 and a molecular weight of 852.94 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
• PubChem CID: 161100841
• Molecular Formula: C36H42F6N4O7S3
• Molecular Weight: 852.94 g/mol
• Exact Mass: 852.21
• IUPAC Name: N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
• SMILES: CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C18H21F3N2O4S.C18H21F3N2O3S2/c1-16(2,3)13-10-14(23-27-13)22-15(24)17(4,5)28(25,26)12-8-6-7-11(9-12)18(19,20)21;1-16(2,3)13-10-27-15(22-13)23-14(24)17(4,5)28(25,26)12-8-6-7-11(9-12)18(19,20)21/h2*6-10H,1-5H3,(H,22,23,24)
• InChIKey: UIKAFROVLPCONT-UHFFFAOYSA-N
• XLogP: 8.83
• TPSA: 165.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.94
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?

The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 161100841) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.

What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?

The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.

What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?

The InChIKey is UIKAFROVLPCONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O4S.C18H21F3N2O3S2/c1-16(2,3)13-10-14(23-27-13)22-15(24)17(4,5)28(25,26)12-8-6-7-11(9-12)18(19,20)21;1-16(2,3)13-10-27-15(22-13)23-14(24)17(4,5)28(25,26)12-8-6-7-11(9-12)18(19,20)21/h2*6-10H,1-5H3,(H,22,23,24).

What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 852.94 g/mol, XLogP of 8.83, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 161100841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).