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

C23H21F3N4O5S2 — CID 135738664

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

4-methyl-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1,3-thiazole-2-sulfonamide (PubChem CID 135738664) has the molecular formula C23H21F3N4O5S2 and a molecular weight of 554.57 g/mol. Its IUPAC name is 4-methyl-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1,3-thiazole-2-sulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1,3-thiazole-2-sulfonamide
• PubChem CID: 135738664
• Molecular Formula: C23H21F3N4O5S2
• Molecular Weight: 554.57 g/mol
• Exact Mass: 554.09
• IUPAC Name: 4-methyl-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1,3-thiazole-2-sulfonamide
• SMILES: Cc1csc(S(=O)(=O)N(c2ccc(C(F)(F)F)cc2OCc2ccc(-c3noc(=O)[nH]3)cc2)C(C)C)n1
• InChI: InChI=1S/C23H21F3N4O5S2/c1-13(2)30(37(32,33)22-27-14(3)12-36-22)18-9-8-17(23(24,25)26)10-19(18)34-11-15-4-6-16(7-5-15)20-28-21(31)35-29-20/h4-10,12-13H,11H2,1-3H3,(H,28,29,31)
• InChIKey: QRUHYRHZCZKCFT-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 118.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.57
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1,3-thiazole-2-sulfonamide (CID 135738664) is 4-methyl-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1,3-thiazole-2-sulfonamide.

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

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

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

The InChIKey is QRUHYRHZCZKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O5S2/c1-13(2)30(37(32,33)22-27-14(3)12-36-22)18-9-8-17(23(24,25)26)10-19(18)34-11-15-4-6-16(7-5-15)20-28-21(31)35-29-20/h4-10,12-13H,11H2,1-3H3,(H,28,29,31).

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

4-methyl-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1,3-thiazole-2-sulfonamide has a molecular weight of 554.57 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 135738664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).