(2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid

C24H27N3O6S — CID 59477230

IUPAC(2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc2oc3cc(-c4noc(C(C)(C)C)n4)ccc3c2c1)C(=O)O
InChIInChI=1S/C24H27N3O6S/c1-13(2)10-18(22(28)29)27-34(30,31)15-7-9-19-17(12-15)16-8-6-14(11-20(16)32-19)21-25-23(33-26-21)24(3,4)5/h6-9,11-13,18,27H,10H2,1-5H3,(H,28,29)/t18-/m1/s1
InChIKeyROWXCVNCYGOSEU-GOSISDBHSA-N
MW485.56 g/mol
LogP4.71
Rot. Bonds7

About (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid

(2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid (PubChem CID 59477230) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid
PubChem CID59477230
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name(2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc2oc3cc(-c4noc(C(C)(C)C)n4)ccc3c2c1)C(=O)O
InChIInChI=1S/C24H27N3O6S/c1-13(2)10-18(22(28)29)27-34(30,31)15-7-9-19-17(12-15)16-8-6-14(11-20(16)32-19)21-25-23(33-26-21)24(3,4)5/h6-9,11-13,18,27H,10H2,1-5H3,(H,28,29)/t18-/m1/s1
InChIKeyROWXCVNCYGOSEU-GOSISDBHSA-N
XLogP4.71
TPSA135.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 59477371
(2S)-2-[[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]-3,3-dimethylbutanoic acid
CID 59477242
3-methyl-2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]butanoic acid
CID 68501704
methyl (2S)-4-methyl-2-[[7-(4-methylsulfonylphenyl)dibenzofuran-2-yl]sulfonylamino]pentanoate
CID 156807279
(2S)-3-methyl-2-[[8-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid
CID 57401026
(2S)-3-methyl-2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid
CID 68502473
methyl (2R)-3-methyl-2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]butanoate
CID 68505391
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
(2S)-3-methyl-2-[[7-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]dibenzofuran-2-yl]sulfonylamino]butanoic acid
CID 59477247
(2R)-3-methyl-2-[[7-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]dibenzofuran-2-yl]sulfonylamino]butanoic acid
CID 59477348
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid (CID 59477230) is (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)c1ccc2oc3cc(-c4noc(C(C)(C)C)n4)ccc3c2c1)C(=O)O.
What is the InChIKey of (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid?
The InChIKey is ROWXCVNCYGOSEU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-13(2)10-18(22(28)29)27-34(30,31)15-7-9-19-17(12-15)16-8-6-14(11-20(16)32-19)21-25-23(33-26-21)24(3,4)5/h6-9,11-13,18,27H,10H2,1-5H3,(H,28,29)/t18-/m1/s1.
What are the key properties of (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid has a molecular weight of 485.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-(5-tert-butyl-1,2,4-oxadiazol-3-yl)dibenzofuran-2-yl]sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 59477230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).