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

C22H23FN2O5S2 — CID 58541242

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide (PubChem CID 58541242) has the molecular formula C22H23FN2O5S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide
• PubChem CID: 58541242
• Molecular Formula: C22H23FN2O5S2
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.10
• IUPAC Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(Oc2c(F)cccc2OC)c(CC(=O)Cc2nccs2)c1
• InChI: InChI=1S/C22H23FN2O5S2/c1-3-11-32(27,28)25-16-7-8-19(30-22-18(23)5-4-6-20(22)29-2)15(12-16)13-17(26)14-21-24-9-10-31-21/h4-10,12,25H,3,11,13-14H2,1-2H3
• InChIKey: HCAZFSFRKBAYDU-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 94.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.57
LogP ≤ 5	4.59
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]propane-1-sulfonamide?

The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide (CID 58541242) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide.

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

The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Oc2c(F)cccc2OC)c(CC(=O)Cc2nccs2)c1.

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

The InChIKey is HCAZFSFRKBAYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5S2/c1-3-11-32(27,28)25-16-7-8-19(30-22-18(23)5-4-6-20(22)29-2)15(12-16)13-17(26)14-21-24-9-10-31-21/h4-10,12,25H,3,11,13-14H2,1-2H3.

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide has a molecular weight of 478.57 g/mol, XLogP of 4.59, 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]propane-1-sulfonamide is sourced from PubChem (CID 58541242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).