(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide

C20H28N2O4S — CID 53389286

IUPAC(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1
InChIKeyMRJCPNBIHXIUFQ-LJQANCHMSA-N
MW392.52 g/mol
LogP3.41
Rot. Bonds8

About (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide

(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide (PubChem CID 53389286) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide
PubChem CID53389286
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1
InChIKeyMRJCPNBIHXIUFQ-LJQANCHMSA-N
XLogP3.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
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-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide (CID 53389286) is (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide is CC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The InChIKey is MRJCPNBIHXIUFQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide has a molecular weight of 392.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 53389286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).