N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide

C17H24N2O3S — CID 124862337

IUPACN-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCSCC[C@H](CO)NC(=O)CCCN1Cc2ccccc2C1=O
InChIInChI=1S/C17H24N2O3S/c1-23-10-8-14(12-20)18-16(21)7-4-9-19-11-13-5-2-3-6-15(13)17(19)22/h2-3,5-6,14,20H,4,7-12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyMLYMHPDZWXKEHW-CQSZACIVSA-N
MW336.46 g/mol
LogP1.65
Rot. Bonds9

About N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide

N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 124862337) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID124862337
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCSCC[C@H](CO)NC(=O)CCCN1Cc2ccccc2C1=O
InChIInChI=1S/C17H24N2O3S/c1-23-10-8-14(12-20)18-16(21)7-4-9-19-11-13-5-2-3-6-15(13)17(19)22/h2-3,5-6,14,20H,4,7-12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyMLYMHPDZWXKEHW-CQSZACIVSA-N
XLogP1.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide with MolForge

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Related Compounds

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 91823111
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 91638341
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 91822050
2-(5-methylhexyl)-3H-isoindol-1-one
CID 142016970
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
(2S)-4-methyl-2-[[(2S)-2-[4-(3-oxo-1H-isoindol-2-yl)butanoylamino]-3-phenylpropanoyl]amino]pentanoic acid
CID 70090921
2-nonyl-3H-isoindol-1-one
CID 132543397
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide
CID 59530874
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
CID 124863370
(2S)-2-hydroxy-4-(3-oxo-1H-isoindol-2-yl)butanoic acid
CID 57072169
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-6-(3-oxo-1H-isoindol-2-yl)hexanamide
CID 59530829
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
CID 124846597

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide (CID 124862337) is N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide is CSCC[C@H](CO)NC(=O)CCCN1Cc2ccccc2C1=O.
What is the InChIKey of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is MLYMHPDZWXKEHW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-23-10-8-14(12-20)18-16(21)7-4-9-19-11-13-5-2-3-6-15(13)17(19)22/h2-3,5-6,14,20H,4,7-12H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide?
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 336.46 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 124862337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).