(2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid

C24H27N3O6S — CID 59477242

About (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid

(2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid (PubChem CID 59477242) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid
• PubChem CID: 59477242
• Molecular Formula: C24H27N3O6S
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.16
• IUPAC Name: (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid
• SMILES: CC(C)(C)c1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)(C)C)ccc4c3c2)no1
• InChI: InChI=1S/C24H27N3O6S/c1-23(2,3)19(21(28)29)27-34(30,31)14-8-9-15-16-11-13(7-10-17(16)32-18(15)12-14)20-25-22(33-26-20)24(4,5)6/h7-12,19,27H,1-6H3,(H,28,29)/t19-/m1/s1
• InChIKey: PLQCCCHXNHIKAK-LJQANCHMSA-N
• XLogP: 4.71
• TPSA: 135.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid?

The IUPAC name of (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid (CID 59477242) is (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid.

What is the SMILES notation for (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid?

The canonical SMILES for (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid is CC(C)(C)c1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)(C)C)ccc4c3c2)no1.

What is the InChIKey of (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid?

The InChIKey is PLQCCCHXNHIKAK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-23(2,3)19(21(28)29)27-34(30,31)14-8-9-15-16-11-13(7-10-17(16)32-18(15)12-14)20-25-22(33-26-20)24(4,5)6/h7-12,19,27H,1-6H3,(H,28,29)/t19-/m1/s1.

What are the key properties of (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid?

(2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid has a molecular weight of 485.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 59477242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).