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

C23H26N2O4S — CID 44609098

IUPAC(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O4S/c1-17(2)22(23(26)24-27)25(15-14-18-8-4-3-5-9-18)30(28,29)21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16-17,22,27H,14-15H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeyZHMDSAFJPANUBJ-JOCHJYFZSA-N
MW426.54 g/mol
LogP3.60
Rot. Bonds8

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

(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide (PubChem CID 44609098) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide
PubChem CID44609098
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O4S/c1-17(2)22(23(26)24-27)25(15-14-18-8-4-3-5-9-18)30(28,29)21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16-17,22,27H,14-15H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeyZHMDSAFJPANUBJ-JOCHJYFZSA-N
XLogP3.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.60
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-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide (CID 44609098) is (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide is CC(C)[C@H](C(=O)NO)N(CCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide?
The InChIKey is ZHMDSAFJPANUBJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-17(2)22(23(26)24-27)25(15-14-18-8-4-3-5-9-18)30(28,29)21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16-17,22,27H,14-15H2,1-2H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide has a molecular weight of 426.54 g/mol, XLogP of 3.60, 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-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 44609098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).