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

C14H22N2O5S — CID 151966798

IUPAC(2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)[C@](N)(CO)C(=O)NO)cc1
InChIInChI=1S/C14H22N2O5S/c1-4-13(2,3)10-5-7-11(8-6-10)22(20,21)14(15,9-17)12(18)16-19/h5-8,17,19H,4,9,15H2,1-3H3,(H,16,18)/t14-/m1/s1
InChIKeyTZVHWECQRPWYEA-CQSZACIVSA-N
MW330.41 g/mol
LogP0.30
Rot. Bonds6

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

(2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide (PubChem CID 151966798) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
PubChem CID151966798
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)[C@](N)(CO)C(=O)NO)cc1
InChIInChI=1S/C14H22N2O5S/c1-4-13(2,3)10-5-7-11(8-6-10)22(20,21)14(15,9-17)12(18)16-19/h5-8,17,19H,4,9,15H2,1-3H3,(H,16,18)/t14-/m1/s1
InChIKeyTZVHWECQRPWYEA-CQSZACIVSA-N
XLogP0.30
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.30
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
(2S,3R)-N,3-dihydroxy-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]butanamide
CID 11537492
N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide
CID 11681020
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)-N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]propanamide
CID 16128624
(2S)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
CID 87747841
3-Hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]propanamide
CID 87749254
(2S,3R)-2-amino-N,3-dihydroxy-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
CID 87749528
(2S,3R)-3-hydroxy-2-(hydroxyamino)-N-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
CID 87750047
(2S)-3-hydroxy-2-[hydroxy-(4-phenylphenyl)sulfonylamino]propanamide
CID 91320908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide?
The IUPAC name of (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide (CID 151966798) is (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide is CCC(C)(C)c1ccc(S(=O)(=O)[C@](N)(CO)C(=O)NO)cc1.
What is the InChIKey of (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide?
The InChIKey is TZVHWECQRPWYEA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-13(2,3)10-5-7-11(8-6-10)22(20,21)14(15,9-17)12(18)16-19/h5-8,17,19H,4,9,15H2,1-3H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide?
(2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide has a molecular weight of 330.41 g/mol, XLogP of 0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 151966798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).