(2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide

C15H24N2O5S — CID 87750047

IUPAC(2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@H](NO)[C@@H](C)O)cc1
InChIInChI=1S/C15H24N2O5S/c1-5-15(3,4)11-6-8-12(9-7-11)23(21,22)17-14(19)13(16-20)10(2)18/h6-10,13,16,18,20H,5H2,1-4H3,(H,17,19)/t10-,13+/m1/s1
InChIKeyOLTZZEDOJAVDRL-MFKMUULPSA-N
MW344.43 g/mol
LogP0.91
Rot. Bonds7

About (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide

(2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide (PubChem CID 87750047) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
PubChem CID87750047
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name(2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@H](NO)[C@@H](C)O)cc1
InChIInChI=1S/C15H24N2O5S/c1-5-15(3,4)11-6-8-12(9-7-11)23(21,22)17-14(19)13(16-20)10(2)18/h6-10,13,16,18,20H,5H2,1-4H3,(H,17,19)/t10-,13+/m1/s1
InChIKeyOLTZZEDOJAVDRL-MFKMUULPSA-N
XLogP0.91
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide (CID 87750047) is (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide is CCC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@H](NO)[C@@H](C)O)cc1.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide?
The InChIKey is OLTZZEDOJAVDRL-MFKMUULPSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-5-15(3,4)11-6-8-12(9-7-11)23(21,22)17-14(19)13(16-20)10(2)18/h6-10,13,16,18,20H,5H2,1-4H3,(H,17,19)/t10-,13+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide?
(2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide has a molecular weight of 344.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 87750047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).