5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

C29H24FN5O5S — CID 144548590

About 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 144548590) has the molecular formula C29H24FN5O5S and a molecular weight of 573.61 g/mol. Its IUPAC name is 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• PubChem CID: 144548590
• Molecular Formula: C29H24FN5O5S
• Molecular Weight: 573.61 g/mol
• Exact Mass: 573.15
• IUPAC Name: 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3nnc(-c4cc5c(F)cccc5[nH]4)o3)cc12
• InChI: InChI=1S/C29H24FN5O5S/c1-15-8-10-16(11-9-15)26-25(27(36)31-2)19-12-18(23(14-24(19)39-26)35(3)41(4,37)38)28-33-34-29(40-28)22-13-17-20(30)6-5-7-21(17)32-22/h5-14,32H,1-4H3,(H,31,36)
• InChIKey: QCQOAIIJAXLERN-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 134.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.61
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The IUPAC name of 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 144548590) is 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3nnc(-c4cc5c(F)cccc5[nH]4)o3)cc12.

What is the InChIKey of 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The InChIKey is QCQOAIIJAXLERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O5S/c1-15-8-10-16(11-9-15)26-25(27(36)31-2)19-12-18(23(14-24(19)39-26)35(3)41(4,37)38)28-33-34-29(40-28)22-13-17-20(30)6-5-7-21(17)32-22/h5-14,32H,1-4H3,(H,31,36).

What are the key properties of 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 573.61 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-fluoro-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 144548590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).