(2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide

C21H28N2O4S — CID 127037442

IUPAC(2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide
SMILESCC(C)CN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)14-23(20(16(3)4)21(24)22-25)28(26,27)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,15-16,20,25H,14H2,1-4H3,(H,22,24)/t20-/m1/s1
InChIKeyWROMENMJKIPTLM-HXUWFJFHSA-N
MW404.53 g/mol
LogP3.53
Rot. Bonds8

About (2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide

(2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide (PubChem CID 127037442) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide
PubChem CID127037442
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide
SMILESCC(C)CN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)14-23(20(16(3)4)21(24)22-25)28(26,27)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,15-16,20,25H,14H2,1-4H3,(H,22,24)/t20-/m1/s1
InChIKeyWROMENMJKIPTLM-HXUWFJFHSA-N
XLogP3.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.53
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-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide (CID 127037442) is (2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide is CC(C)CN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide?
The InChIKey is WROMENMJKIPTLM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)14-23(20(16(3)4)21(24)22-25)28(26,27)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13,15-16,20,25H,14H2,1-4H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide has a molecular weight of 404.53 g/mol, XLogP of 3.53, 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-[2-methylpropyl-(4-phenylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 127037442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).