4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide

C24H23F3N4O5S2 — CID 135738662

About 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide

4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide (PubChem CID 135738662) has the molecular formula C24H23F3N4O5S2 and a molecular weight of 568.60 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide
• PubChem CID: 135738662
• Molecular Formula: C24H23F3N4O5S2
• Molecular Weight: 568.60 g/mol
• Exact Mass: 568.11
• IUPAC Name: 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide
• SMILES: Cc1csc(S(=O)(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2OCc2ccc(-c3noc(=O)[nH]3)cc2)n1
• InChI: InChI=1S/C24H23F3N4O5S2/c1-14(2)11-31(38(33,34)23-28-15(3)13-37-23)19-9-8-18(24(25,26)27)10-20(19)35-12-16-4-6-17(7-5-16)21-29-22(32)36-30-21/h4-10,13-14H,11-12H2,1-3H3,(H,29,30,32)
• InChIKey: TTWLHHPGUOJOJQ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 118.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.60
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide?

The IUPAC name of 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide (CID 135738662) is 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide.

What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide?

The canonical SMILES for 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide is Cc1csc(S(=O)(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2OCc2ccc(-c3noc(=O)[nH]3)cc2)n1.

What is the InChIKey of 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide?

The InChIKey is TTWLHHPGUOJOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O5S2/c1-14(2)11-31(38(33,34)23-28-15(3)13-37-23)19-9-8-18(24(25,26)27)10-20(19)35-12-16-4-6-17(7-5-16)21-29-22(32)36-30-21/h4-10,13-14H,11-12H2,1-3H3,(H,29,30,32).

What are the key properties of 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide?

4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide has a molecular weight of 568.60 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(2-methylpropyl)-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 135738662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).