5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C32H26FN3O5S2 — CID 71510522

About 5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71510522) has the molecular formula C32H26FN3O5S2 and a molecular weight of 615.71 g/mol. Its IUPAC name is 5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 71510522
• Molecular Formula: C32H26FN3O5S2
• Molecular Weight: 615.71 g/mol
• Exact Mass: 615.13
• IUPAC Name: 5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(OC)nc(-c4cc5ccccc5s4)c3)cc12
• InChI: InChI=1S/C32H26FN3O5S2/c1-34-32(37)30-23-16-22(20-13-24(35-29(15-20)40-3)28-14-19-7-5-6-8-27(19)42-28)25(36(2)43(4,38)39)17-26(23)41-31(30)18-9-11-21(33)12-10-18/h5-17H,1-4H3,(H,34,37)
• InChIKey: KIDAAXRPTXFGQT-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.71
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71510522) is 5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(OC)nc(-c4cc5ccccc5s4)c3)cc12.

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

The InChIKey is KIDAAXRPTXFGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O5S2/c1-34-32(37)30-23-16-22(20-13-24(35-29(15-20)40-3)28-14-19-7-5-6-8-27(19)42-28)25(36(2)43(4,38)39)17-26(23)41-31(30)18-9-11-21(33)12-10-18/h5-17H,1-4H3,(H,34,37).

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

5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 615.71 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1-benzothiophen-2-yl)-6-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71510522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).