(2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide

C21H24N2O6S — CID 155537349

IUPAC(2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(C)(O)C#CC#Cc1ccc2c(c1)CN(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C2=O
InChIInChI=1S/C21H24N2O6S/c1-20(2,26)10-6-5-7-15-8-9-17-16(13-15)14-23(18(17)24)12-11-21(3,19(25)22-27)30(4,28)29/h8-9,13,26-27H,11-12,14H2,1-4H3,(H,22,25)/t21-/m1/s1
InChIKeyADZPIXYXMCPJLG-OAQYLSRUSA-N
MW432.50 g/mol
LogP0.47
Rot. Bonds5

About (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide

(2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 155537349) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID155537349
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name(2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(C)(O)C#CC#Cc1ccc2c(c1)CN(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C2=O
InChIInChI=1S/C21H24N2O6S/c1-20(2,26)10-6-5-7-15-8-9-17-16(13-15)14-23(18(17)24)12-11-21(3,19(25)22-27)30(4,28)29/h8-9,13,26-27H,11-12,14H2,1-4H3,(H,22,25)/t21-/m1/s1
InChIKeyADZPIXYXMCPJLG-OAQYLSRUSA-N
XLogP0.47
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-ethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 137359602
4-[6-[4-(dimethylamino)phenyl]-3-oxo-1H-isoindol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 155129171
(2R)-N-hydroxy-4-[5-(5-hydroxy-5-methylhexa-1,3-diynyl)indazol-1-yl]-2-methyl-2-methylsulfonylbutanamide;(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[5-[4-(triazol-2-yl)phenyl]indazol-1-yl]butanamide
CID 118174878
(2R)-4-[2-[4-[1-(2-fluoroethyl)azetidin-3-yl]buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 137440894
N-hydroxy-4-[2-[4-[1-(2-hydroxyethyl)azetidin-3-yl]buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide
CID 137440942
4-[7-fluoro-6-(2-fluorophenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129217702
N-hydroxy-4-[2-[4-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide
CID 137440982
(2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylpiperidin-4-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide
CID 135315374
4-[6-[4-[1-(deuteriomethyl)azetidin-3-yl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 135315772
N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-oxo-2-[4-[1-[(3R)-oxolan-3-yl]azetidin-3-yl]buta-1,3-diynyl]-4H-thieno[2,3-c]pyrrol-5-yl]butanamide
CID 137440912
N-hydroxy-4-[6-[4-(3-hydroxyoxetan-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 129021365
(2R)-4-[6-(5-cyclobutyl-6-hydroxyhexa-1,3-diynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 118368790

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide (CID 155537349) is (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide is CC(C)(O)C#CC#Cc1ccc2c(c1)CN(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C2=O.
What is the InChIKey of (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ADZPIXYXMCPJLG-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-20(2,26)10-6-5-7-15-8-9-17-16(13-15)14-23(18(17)24)12-11-21(3,19(25)22-27)30(4,28)29/h8-9,13,26-27H,11-12,14H2,1-4H3,(H,22,25)/t21-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 432.50 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[6-(5-hydroxy-5-methylhexa-1,3-diynyl)-3-oxo-1H-isoindol-2-yl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 155537349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).