N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide

C50H56F2N4O10 — CID 159347196

About N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide

N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide (PubChem CID 159347196) has the molecular formula C50H56F2N4O10 and a molecular weight of 911.01 g/mol. Its IUPAC name is N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide
• PubChem CID: 159347196
• Molecular Formula: C50H56F2N4O10
• Molecular Weight: 911.01 g/mol
• Exact Mass: 910.40
• IUPAC Name: N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide
• SMILES: CC(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21.CC(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1C[C@H](F)[C@H]2OC[C@H](O)[C@H]21
• InChI: InChI=1S/C25H29FN2O5.C25H27FN2O5/c2*1-15(2)12-20(25(31)28-13-19(26)23-22(28)21(29)14-32-23)27-24(30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h3-11,15,19-23,29H,12-14H2,1-2H3,(H,27,30);3-11,15,19-20,22-23H,12-14H2,1-2H3,(H,27,30)/t19-,20-,21-,22+,23+;19-,20-,22+,23+/m00/s1
• InChIKey: LGWILWJPCAXBQY-GIRFNJMESA-N
• XLogP: 6.07
• TPSA: 173.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.01
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide?

The IUPAC name of N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide (CID 159347196) is N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide.

What is the SMILES notation for N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide?

The canonical SMILES for N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide is CC(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1C[C@H](F)[C@H]2OCC(=O)[C@H]21.CC(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1C[C@H](F)[C@H]2OC[C@H](O)[C@H]21.

What is the InChIKey of N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide?

The InChIKey is LGWILWJPCAXBQY-GIRFNJMESA-N. The full InChI is InChI=1S/C25H29FN2O5.C25H27FN2O5/c2*1-15(2)12-20(25(31)28-13-19(26)23-22(28)21(29)14-32-23)27-24(30)16-8-10-18(11-9-16)33-17-6-4-3-5-7-17/h3-11,15,19-23,29H,12-14H2,1-2H3,(H,27,30);3-11,15,19-20,22-23H,12-14H2,1-2H3,(H,27,30)/t19-,20-,21-,22+,23+;19-,20-,22+,23+/m00/s1.

What are the key properties of N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide?

N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide has a molecular weight of 911.01 g/mol, XLogP of 6.07, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide;N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-phenoxybenzamide is sourced from PubChem (CID 159347196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).