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

C17H20N2O5S — CID 6539670

IUPAC(2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyNQPIHEUUYRAYII-MRXNPFEDSA-N
MW364.42 g/mol
LogP2.29
Rot. Bonds7

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

(2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide (PubChem CID 6539670) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide
PubChem CID6539670
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyNQPIHEUUYRAYII-MRXNPFEDSA-N
XLogP2.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(4-phenoxyphenyl)sulfonylamino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide (CID 6539670) is (2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide is CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide?
The InChIKey is NQPIHEUUYRAYII-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide has a molecular weight of 364.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 6539670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).