(2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide

C15H24N2O5S — CID 150087759

IUPAC(2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)[C@@](N)(C(=O)NO)[C@@H](C)O)cc1
InChIInChI=1S/C15H24N2O5S/c1-5-14(3,4)11-6-8-12(9-7-11)23(21,22)15(16,10(2)18)13(19)17-20/h6-10,18,20H,5,16H2,1-4H3,(H,17,19)/t10-,15-/m1/s1
InChIKeyDSOWUGYWVSBTQM-MEBBXXQBSA-N
MW344.43 g/mol
LogP0.69
Rot. Bonds6

About (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide

(2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide (PubChem CID 150087759) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound Name(2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
PubChem CID150087759
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name(2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)[C@@](N)(C(=O)NO)[C@@H](C)O)cc1
InChIInChI=1S/C15H24N2O5S/c1-5-14(3,4)11-6-8-12(9-7-11)23(21,22)15(16,10(2)18)13(19)17-20/h6-10,18,20H,5,16H2,1-4H3,(H,17,19)/t10-,15-/m1/s1
InChIKeyDSOWUGYWVSBTQM-MEBBXXQBSA-N
XLogP0.69
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

2-([[4-(1,1-dimethylpropyl)phenyl]sulfonyl]amino)-N,3-dihydroxybutanamide
CID 11645891
(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 154126143
N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]butanamide
CID 11515202
(2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide
CID 11537492
N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 11687862
N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide
CID 11716931
(2S)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanamide
CID 16128622
(2S,3R)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 16128623
(2S,3R)-N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]butanamide
CID 16128707
(2S,3R)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylmethylamino]butanamide
CID 87639192
(2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
CID 87747841
3-Hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide
CID 87748051

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide?
The IUPAC name of (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide (CID 150087759) is (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide.
What is the SMILES notation for (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide?
The canonical SMILES for (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide is CCC(C)(C)c1ccc(S(=O)(=O)[C@@](N)(C(=O)NO)[C@@H](C)O)cc1.
What is the InChIKey of (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide?
The InChIKey is DSOWUGYWVSBTQM-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-5-14(3,4)11-6-8-12(9-7-11)23(21,22)15(16,10(2)18)13(19)17-20/h6-10,18,20H,5,16H2,1-4H3,(H,17,19)/t10-,15-/m1/s1.
What are the key properties of (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide?
(2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide has a molecular weight of 344.43 g/mol, XLogP of 0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 150087759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).