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

C33H29FN4O5S — CID 126486474

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

5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 126486474) has the molecular formula C33H29FN4O5S and a molecular weight of 612.68 g/mol. Its IUPAC name is 5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• PubChem CID: 126486474
• Molecular Formula: C33H29FN4O5S
• Molecular Weight: 612.68 g/mol
• Exact Mass: 612.18
• IUPAC Name: 5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-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(-c3cc(-c4cc5cc(F)ccc5[nH]4)cc(OC)n3)cc12
• InChI: InChI=1S/C33H29FN4O5S/c1-18-6-8-19(9-7-18)32-31(33(39)35-2)24-16-23(28(17-29(24)43-32)38(3)44(5,40)41)27-14-21(15-30(37-27)42-4)26-13-20-12-22(34)10-11-25(20)36-26/h6-17,36H,1-5H3,(H,35,39)
• InChIKey: AXHPCOCBWNHBHQ-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 117.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.68
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 126486474) is 5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-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(-c3cc(-c4cc5cc(F)ccc5[nH]4)cc(OC)n3)cc12.

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

The InChIKey is AXHPCOCBWNHBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O5S/c1-18-6-8-19(9-7-18)32-31(33(39)35-2)24-16-23(28(17-29(24)43-32)38(3)44(5,40)41)27-14-21(15-30(37-27)42-4)26-13-20-12-22(34)10-11-25(20)36-26/h6-17,36H,1-5H3,(H,35,39).

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

5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 612.68 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(5-fluoro-1H-indol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126486474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).