N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide

C24H23FN4O5S2 — CID 58541430

About N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 58541430) has the molecular formula C24H23FN4O5S2 and a molecular weight of 530.60 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide
• PubChem CID: 58541430
• Molecular Formula: C24H23FN4O5S2
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.11
• IUPAC Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide
• SMILES: COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)cc1CC(=O)Cc1nccs1
• InChI: InChI=1S/C24H23FN4O5S2/c1-15-27-23(14-29(15)2)36(31,32)28-17-7-8-20(34-24-19(25)5-4-6-21(24)33-3)16(11-17)12-18(30)13-22-26-9-10-35-22/h4-11,14,28H,12-13H2,1-3H3
• InChIKey: ZLQLQPGUNXUGBH-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 112.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.60
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide?

The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide (CID 58541430) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide.

What is the SMILES notation for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide?

The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide is COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)cc1CC(=O)Cc1nccs1.

What is the InChIKey of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide?

The InChIKey is ZLQLQPGUNXUGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5S2/c1-15-27-23(14-29(15)2)36(31,32)28-17-7-8-20(34-24-19(25)5-4-6-21(24)33-3)16(11-17)12-18(30)13-22-26-9-10-35-22/h4-11,14,28H,12-13H2,1-3H3.

What are the key properties of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide?

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 530.60 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 58541430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).