2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide

C28H21FN2O3S — CID 58472649

About 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 58472649) has the molecular formula C28H21FN2O3S and a molecular weight of 484.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide
• PubChem CID: 58472649
• Molecular Formula: C28H21FN2O3S
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.13
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)CCc4nccs4)c3)cc12
• InChI: InChI=1S/C28H21FN2O3S/c1-30-28(33)26-22-16-19(7-11-24(22)34-27(26)17-5-8-21(29)9-6-17)18-3-2-4-20(15-18)23(32)10-12-25-31-13-14-35-25/h2-9,11,13-16H,10,12H2,1H3,(H,30,33)
• InChIKey: IZZSYQXTMINBIR-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 72.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide (CID 58472649) is 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)CCc4nccs4)c3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide?

The InChIKey is IZZSYQXTMINBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN2O3S/c1-30-28(33)26-22-16-19(7-11-24(22)34-27(26)17-5-8-21(29)9-6-17)18-3-2-4-20(15-18)23(32)10-12-25-31-13-14-35-25/h2-9,11,13-16H,10,12H2,1H3,(H,30,33).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 58472649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).