(2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide

C15H24N2O5S — CID 11537492

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

About (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide

(2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide (PubChem CID 11537492) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide.

Molecular Properties

Compound Name(2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide
PubChem CID11537492
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name(2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc1
InChIInChI=1S/C15H24N2O5S/c1-5-15(3,4)11-6-8-12(9-7-11)23(21,22)17-13(10(2)18)14(19)16-20/h6-10,13,17-18,20H,5H2,1-4H3,(H,16,19)/t10-,13+/m1/s1
InChIKeyLLGSUFDGKWYCSV-MFKMUULPSA-N
XLogP0.91
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
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 ≤ 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 (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide?
The IUPAC name of (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide (CID 11537492) is (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide.
What is the SMILES notation for (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide?
The canonical SMILES for (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide is CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc1.
What is the InChIKey of (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide?
The InChIKey is LLGSUFDGKWYCSV-MFKMUULPSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-5-15(3,4)11-6-8-12(9-7-11)23(21,22)17-13(10(2)18)14(19)16-20/h6-10,13,17-18,20H,5H2,1-4H3,(H,16,19)/t10-,13+/m1/s1.
What are the key properties of (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide?
(2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide has a molecular weight of 344.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide is sourced from PubChem (CID 11537492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).