6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide

C31H25F2N5O4S — CID 71508984

About 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide

6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 71508984) has the molecular formula C31H25F2N5O4S and a molecular weight of 601.64 g/mol. Its IUPAC name is 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 71508984
• Molecular Formula: C31H25F2N5O4S
• Molecular Weight: 601.64 g/mol
• Exact Mass: 601.16
• IUPAC Name: 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCF)S(C)(=O)=O)c(-c3cncc(-c4cc5ccccc5[nH]4)n3)cc12
• InChI: InChI=1S/C31H25F2N5O4S/c1-34-31(39)29-22-14-21(25-16-35-17-26(37-25)24-13-19-5-3-4-6-23(19)36-24)27(38(12-11-32)43(2,40)41)15-28(22)42-30(29)18-7-9-20(33)10-8-18/h3-10,13-17,36H,11-12H2,1-2H3,(H,34,39)
• InChIKey: YXLOXHWEKGQYKP-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 121.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.64
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide?

The IUPAC name of 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide (CID 71508984) is 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCF)S(C)(=O)=O)c(-c3cncc(-c4cc5ccccc5[nH]4)n3)cc12.

What is the InChIKey of 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide?

The InChIKey is YXLOXHWEKGQYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N5O4S/c1-34-31(39)29-22-14-21(25-16-35-17-26(37-25)24-13-19-5-3-4-6-23(19)36-24)27(38(12-11-32)43(2,40)41)15-28(22)42-30(29)18-7-9-20(33)10-8-18/h3-10,13-17,36H,11-12H2,1-2H3,(H,34,39).

What are the key properties of 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide?

6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 601.64 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71508984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).