2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide

C23H24N4O5S — CID 58344816

About 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide

2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide (PubChem CID 58344816) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide
• PubChem CID: 58344816
• Molecular Formula: C23H24N4O5S
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.15
• IUPAC Name: 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide
• SMILES: [C-]#[N+]c1cc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCO)no2)ccc1OC(C)C
• InChI: InChI=1S/C23H24N4O5S/c1-14(2)31-21-10-7-15(13-20(21)24-3)23-25-22(26-32-23)18-6-4-5-17-16(18)8-9-19(17)27-33(29,30)12-11-28/h4-7,10,13-14,19,27-28H,8-9,11-12H2,1-2H3/t19-/m1/s1
• InChIKey: QNHWCTCBXOUKNS-LJQANCHMSA-N
• XLogP: 3.64
• TPSA: 118.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide?

The IUPAC name of 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide (CID 58344816) is 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide.

What is the SMILES notation for 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide?

The canonical SMILES for 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide is [C-]#[N+]c1cc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCO)no2)ccc1OC(C)C.

What is the InChIKey of 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide?

The InChIKey is QNHWCTCBXOUKNS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-14(2)31-21-10-7-15(13-20(21)24-3)23-25-22(26-32-23)18-6-4-5-17-16(18)8-9-19(17)27-33(29,30)12-11-28/h4-7,10,13-14,19,27-28H,8-9,11-12H2,1-2H3/t19-/m1/s1.

What are the key properties of 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide?

2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide has a molecular weight of 468.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[(1R)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]ethanesulfonamide is sourced from PubChem (CID 58344816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).