N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide

C22H22FN3O5S — CID 146469075

About N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide

N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide (PubChem CID 146469075) has the molecular formula C22H22FN3O5S and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide
• PubChem CID: 146469075
• Molecular Formula: C22H22FN3O5S
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.13
• IUPAC Name: N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide
• SMILES: CC(=O)Nc1cc(S(=O)(=O)N2CC3=C(CN(C(=O)[C@H](O)c4ccccc4)C3)C2)ccc1F
• InChI: InChI=1S/C22H22FN3O5S/c1-14(27)24-20-9-18(7-8-19(20)23)32(30,31)26-12-16-10-25(11-17(16)13-26)22(29)21(28)15-5-3-2-4-6-15/h2-9,21,28H,10-13H2,1H3,(H,24,27)/t21-/m1/s1
• InChIKey: DCVGMZPLNWAHKD-OAQYLSRUSA-N
• XLogP: 1.66
• TPSA: 107.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide?

The IUPAC name of N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide (CID 146469075) is N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide.

What is the SMILES notation for N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide?

The canonical SMILES for N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N2CC3=C(CN(C(=O)[C@H](O)c4ccccc4)C3)C2)ccc1F.

What is the InChIKey of N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide?

The InChIKey is DCVGMZPLNWAHKD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22FN3O5S/c1-14(27)24-20-9-18(7-8-19(20)23)32(30,31)26-12-16-10-25(11-17(16)13-26)22(29)21(28)15-5-3-2-4-6-15/h2-9,21,28H,10-13H2,1H3,(H,24,27)/t21-/m1/s1.

What are the key properties of N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide?

N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide has a molecular weight of 459.50 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[[2-[(2R)-2-hydroxy-2-phenylacetyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 146469075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).