(2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide

C12H18N2O4S — CID 6539663

IUPAC(2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide
SMILESCc1cccc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)c1
InChIInChI=1S/C12H18N2O4S/c1-8(2)11(12(15)13-16)14-19(17,18)10-6-4-5-9(3)7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
InChIKeyLPWUUBZYNSITDQ-LLVKDONJSA-N
MW286.35 g/mol
LogP0.80
Rot. Bonds5

About (2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide

(2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide (PubChem CID 6539663) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide
PubChem CID6539663
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide
SMILESCc1cccc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)c1
InChIInChI=1S/C12H18N2O4S/c1-8(2)11(12(15)13-16)14-19(17,18)10-6-4-5-9(3)7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
InChIKeyLPWUUBZYNSITDQ-LLVKDONJSA-N
XLogP0.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.80
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-[(3-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide (CID 6539663) is (2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide is Cc1cccc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide?
The InChIKey is LPWUUBZYNSITDQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(2)11(12(15)13-16)14-19(17,18)10-6-4-5-9(3)7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanamide has a molecular weight of 286.35 g/mol, XLogP of 0.80, 5 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-[(3-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 6539663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).