(2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide

C13H20N2O4S — CID 6539667

IUPAC(2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)NO
InChIInChI=1S/C13H20N2O4S/c1-10(2)12(13(16)14-17)15-20(18,19)9-8-11-6-4-3-5-7-11/h3-7,10,12,15,17H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyNTGRIGCAFDWJFQ-GFCCVEGCSA-N
MW300.38 g/mol
LogP0.68
Rot. Bonds7

About (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide

(2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide (PubChem CID 6539667) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide
PubChem CID6539667
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name(2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)NO
InChIInChI=1S/C13H20N2O4S/c1-10(2)12(13(16)14-17)15-20(18,19)9-8-11-6-4-3-5-7-11/h3-7,10,12,15,17H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyNTGRIGCAFDWJFQ-GFCCVEGCSA-N
XLogP0.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide (CID 6539667) is (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide is CC(C)[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)NO.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide?
The InChIKey is NTGRIGCAFDWJFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)12(13(16)14-17)15-20(18,19)9-8-11-6-4-3-5-7-11/h3-7,10,12,15,17H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide?
(2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide has a molecular weight of 300.38 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-(2-phenylethylsulfonylamino)butanamide is sourced from PubChem (CID 6539667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).