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

C20H19FN2O5S2 — CID 58541484

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]methanesulfonamide (PubChem CID 58541484) has the molecular formula C20H19FN2O5S2 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]methanesulfonamide
• PubChem CID: 58541484
• Molecular Formula: C20H19FN2O5S2
• Molecular Weight: 450.51 g/mol
• Exact Mass: 450.07
• IUPAC Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]methanesulfonamide
• SMILES: COc1cccc(F)c1Oc1ccc(NS(C)(=O)=O)cc1CC(=O)Cc1nccs1
• InChI: InChI=1S/C20H19FN2O5S2/c1-27-18-5-3-4-16(21)20(18)28-17-7-6-14(23-30(2,25)26)10-13(17)11-15(24)12-19-22-8-9-29-19/h3-10,23H,11-12H2,1-2H3
• InChIKey: WJIFELUAQSEXSZ-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 94.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.51
LogP ≤ 5	3.81
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]methanesulfonamide?

The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]methanesulfonamide (CID 58541484) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]methanesulfonamide.

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

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

The InChIKey is WJIFELUAQSEXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5S2/c1-27-18-5-3-4-16(21)20(18)28-17-7-6-14(23-30(2,25)26)10-13(17)11-15(24)12-19-22-8-9-29-19/h3-10,23H,11-12H2,1-2H3.

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]methanesulfonamide has a molecular weight of 450.51 g/mol, XLogP of 3.81, 9 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]methanesulfonamide is sourced from PubChem (CID 58541484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).