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

C28H27FN4O6S2 — CID 58541232

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 58541232) has the molecular formula C28H27FN4O6S2 and a molecular weight of 598.68 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
• PubChem CID: 58541232
• Molecular Formula: C28H27FN4O6S2
• Molecular Weight: 598.68 g/mol
• Exact Mass: 598.14
• IUPAC Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
• SMILES: COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1CC(=O)Cc1nccs1
• InChI: InChI=1S/C28H27FN4O6S2/c1-37-25-4-2-3-23(29)28(25)39-24-7-5-20(15-19(24)16-21(34)17-27-30-9-14-40-27)32-41(35,36)22-6-8-26(31-18-22)33-10-12-38-13-11-33/h2-9,14-15,18,32H,10-13,16-17H2,1H3
• InChIKey: ZUDOISOPOPOBTC-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 119.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.68
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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]-6-morpholin-4-ylpyridine-3-sulfonamide?

The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide (CID 58541232) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide.

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

The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide is COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)nc2)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]-6-morpholin-4-ylpyridine-3-sulfonamide?

The InChIKey is ZUDOISOPOPOBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O6S2/c1-37-25-4-2-3-23(29)28(25)39-24-7-5-20(15-19(24)16-21(34)17-27-30-9-14-40-27)32-41(35,36)22-6-8-26(31-18-22)33-10-12-38-13-11-33/h2-9,14-15,18,32H,10-13,16-17H2,1H3.

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 598.68 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 10 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]-6-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 58541232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).