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

C26H23FN2O5S2 — CID 58541436

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide (PubChem CID 58541436) has the molecular formula C26H23FN2O5S2 and a molecular weight of 526.61 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide
• PubChem CID: 58541436
• Molecular Formula: C26H23FN2O5S2
• Molecular Weight: 526.61 g/mol
• Exact Mass: 526.10
• IUPAC Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide
• SMILES: COc1cccc(F)c1Oc1ccc(NS(=O)(=O)Cc2ccccc2)cc1CC(=O)Cc1nccs1
• InChI: InChI=1S/C26H23FN2O5S2/c1-33-24-9-5-8-22(27)26(24)34-23-11-10-20(29-36(31,32)17-18-6-3-2-4-7-18)14-19(23)15-21(30)16-25-28-12-13-35-25/h2-14,29H,15-17H2,1H3
• InChIKey: JCJTWMRFLKWIRZ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 94.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.61
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-phenylmethanesulfonamide?

The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide (CID 58541436) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide.

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

The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide is COc1cccc(F)c1Oc1ccc(NS(=O)(=O)Cc2ccccc2)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-phenylmethanesulfonamide?

The InChIKey is JCJTWMRFLKWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5S2/c1-33-24-9-5-8-22(27)26(24)34-23-11-10-20(29-36(31,32)17-18-6-3-2-4-7-18)14-19(23)15-21(30)16-25-28-12-13-35-25/h2-14,29H,15-17H2,1H3.

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 526.61 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 7 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-phenylmethanesulfonamide is sourced from PubChem (CID 58541436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).