2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide

C32H32FN5O7S — CID 59275600

About 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275600) has the molecular formula C32H32FN5O7S and a molecular weight of 649.70 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
• PubChem CID: 59275600
• Molecular Formula: C32H32FN5O7S
• Molecular Weight: 649.70 g/mol
• Exact Mass: 649.20
• IUPAC Name: 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4nc(C)no4)c3)cc12
• InChI: InChI=1S/C32H32FN5O7S/c1-18-35-31(45-37-18)32(2,3)36-29(40)21-8-6-7-20(15-21)23-16-24-26(17-25(23)38(13-14-39)46(5,42)43)44-28(27(24)30(41)34-4)19-9-11-22(33)12-10-19/h6-12,15-17,39H,13-14H2,1-5H3,(H,34,41)(H,36,40)
• InChIKey: OAXLGQXTEZPJOB-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 167.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.70
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 59275600) is 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(-c3cccc(C(=O)NC(C)(C)c4nc(C)no4)c3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The InChIKey is OAXLGQXTEZPJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5O7S/c1-18-35-31(45-37-18)32(2,3)36-29(40)21-8-6-7-20(15-21)23-16-24-26(17-25(23)38(13-14-39)46(5,42)43)44-28(27(24)30(41)34-4)19-9-11-22(33)12-10-19/h6-12,15-17,39H,13-14H2,1-5H3,(H,34,41)(H,36,40).

What are the key properties of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 649.70 g/mol, XLogP of 4.38, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).