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

C24H28N4O5S2 — CID 73412204

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

N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide (PubChem CID 73412204) has the molecular formula C24H28N4O5S2 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide
• PubChem CID: 73412204
• Molecular Formula: C24H28N4O5S2
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.15
• IUPAC Name: N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide
• SMILES: Cc1csc(S(=O)(=O)N(c2cc(C)c(C)cc2OCc2ccc(C3NOC(=O)N3)cc2)C(C)C)n1
• InChI: InChI=1S/C24H28N4O5S2/c1-14(2)28(35(30,31)24-25-17(5)13-34-24)20-10-15(3)16(4)11-21(20)32-12-18-6-8-19(9-7-18)22-26-23(29)33-27-22/h6-11,13-14,22,27H,12H2,1-5H3,(H,26,29)
• InChIKey: DLIQPGXUQFMYAN-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide (CID 73412204) is N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide.

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

The canonical SMILES for N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide is Cc1csc(S(=O)(=O)N(c2cc(C)c(C)cc2OCc2ccc(C3NOC(=O)N3)cc2)C(C)C)n1.

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

The InChIKey is DLIQPGXUQFMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S2/c1-14(2)28(35(30,31)24-25-17(5)13-34-24)20-10-15(3)16(4)11-21(20)32-12-18-6-8-19(9-7-18)22-26-23(29)33-27-22/h6-11,13-14,22,27H,12H2,1-5H3,(H,26,29).

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

N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide has a molecular weight of 516.65 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-2-[[4-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]methoxy]phenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 73412204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).