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

C27H24FN3O6S2 — CID 58541270

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

N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 58541270) has the molecular formula C27H24FN3O6S2 and a molecular weight of 569.64 g/mol. Its IUPAC name is N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 58541270
• Molecular Formula: C27H24FN3O6S2
• Molecular Weight: 569.64 g/mol
• Exact Mass: 569.11
• IUPAC Name: N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide
• SMILES: COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1CC(=O)Cc1nccs1
• InChI: InChI=1S/C27H24FN3O6S2/c1-17(32)30-19-6-9-22(10-7-19)39(34,35)31-20-8-11-24(37-27-23(28)4-3-5-25(27)36-2)18(14-20)15-21(33)16-26-29-12-13-38-26/h3-14,31H,15-16H2,1-2H3,(H,30,32)
• InChIKey: YWNAMJPIVXVBRM-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 123.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.64
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide (CID 58541270) is N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide.

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

The canonical SMILES for N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide is COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1CC(=O)Cc1nccs1.

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

The InChIKey is YWNAMJPIVXVBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O6S2/c1-17(32)30-19-6-9-22(10-7-19)39(34,35)31-20-8-11-24(37-27-23(28)4-3-5-25(27)36-2)18(14-20)15-21(33)16-26-29-12-13-38-26/h3-14,31H,15-16H2,1-2H3,(H,30,32).

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

N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 569.64 g/mol, XLogP of 5.20, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 58541270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).