2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide

C34H34FN5O8S — CID 59275621

About 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275621) has the molecular formula C34H34FN5O8S and a molecular weight of 691.74 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
• PubChem CID: 59275621
• Molecular Formula: C34H34FN5O8S
• Molecular Weight: 691.74 g/mol
• Exact Mass: 691.21
• IUPAC Name: 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]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)C(=O)Nc4cc(C)no4)c3)cc12
• InChI: InChI=1S/C34H34FN5O8S/c1-19-15-28(48-39-19)37-33(44)34(2,3)38-31(42)22-8-6-7-21(16-22)24-17-25-27(18-26(24)40(13-14-41)49(5,45)46)47-30(29(25)32(43)36-4)20-9-11-23(35)12-10-20/h6-12,15-18,41H,13-14H2,1-5H3,(H,36,43)(H,37,44)(H,38,42)
• InChIKey: AMEYZMQDCJJKAQ-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 184.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	691.74
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	4
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-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 59275621) is 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]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)C(=O)Nc4cc(C)no4)c3)cc12.

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

The InChIKey is AMEYZMQDCJJKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN5O8S/c1-19-15-28(48-39-19)37-33(44)34(2,3)38-31(42)22-8-6-7-21(16-22)24-17-25-27(18-26(24)40(13-14-41)49(5,45)46)47-30(29(25)32(43)36-4)20-9-11-23(35)12-10-20/h6-12,15-18,41H,13-14H2,1-5H3,(H,36,43)(H,37,44)(H,38,42).

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

2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[[2-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 691.74 g/mol, XLogP of 4.47, 11 rotatable bonds, 4 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-methyl-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).