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

C16H20N2O4S — CID 44609100

IUPAC(2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O4S/c1-11(2)15(16(19)17-20)18(3)23(21,22)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,20H,1-3H3,(H,17,19)/t15-/m1/s1
InChIKeyJOOOUNMUHMUOJH-OAHLLOKOSA-N
MW336.41 g/mol
LogP1.99
Rot. Bonds5

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

(2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide (PubChem CID 44609100) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
PubChem CID44609100
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O4S/c1-11(2)15(16(19)17-20)18(3)23(21,22)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,20H,1-3H3,(H,17,19)/t15-/m1/s1
InChIKeyJOOOUNMUHMUOJH-OAHLLOKOSA-N
XLogP1.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.99
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-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide (CID 44609100) is (2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide is CC(C)[C@H](C(=O)NO)N(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The InChIKey is JOOOUNMUHMUOJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(2)15(16(19)17-20)18(3)23(21,22)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,20H,1-3H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide has a molecular weight of 336.41 g/mol, XLogP of 1.99, 5 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-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 44609100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).