(2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide

C15H24N2O5S — CID 101053354

IUPAC(2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
SMILESCON(C)C(=O)[C@@H](NS(=O)(=O)C(C)(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)23(20,21)16-12(14(19)17(4)22-5)13(18)11-9-7-6-8-10-11/h6-10,12-13,16,18H,1-5H3/t12-,13+/m0/s1
InChIKeyVOZZLLLZZYNHOH-QWHCGFSZSA-N
MW344.43 g/mol
LogP0.83
Rot. Bonds6

About (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide

(2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide (PubChem CID 101053354) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
PubChem CID101053354
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name(2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
SMILESCON(C)C(=O)[C@@H](NS(=O)(=O)C(C)(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)23(20,21)16-12(14(19)17(4)22-5)13(18)11-9-7-6-8-10-11/h6-10,12-13,16,18H,1-5H3/t12-,13+/m0/s1
InChIKeyVOZZLLLZZYNHOH-QWHCGFSZSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
CID 166438600
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)
CID 177455278
tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate
CID 24977280
tert-butyl N-[(3S)-3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-2-phenylbutyl]carbamate
CID 91135021
methyl 3-hydroxy-2-methylsulfonyl-3-phenylpropanoate
CID 175120502
methyl 3-hydroxy-3-phenyl-2-(trifluoromethylsulfonyl)propanoate
CID 69139262
methyl 2-(tert-butylsulfonylamino)-2-(3-chlorophenyl)acetate
CID 71541213
(2R,3R)-N-methoxy-N,2-dimethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 102085269
N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
CID 166438028
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-2-phenylbutyl]carbamic acid
CID 87978009
methyl (2S,3S)-3-hydroxy-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11323754

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide (CID 101053354) is (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide is CON(C)C(=O)[C@@H](NS(=O)(=O)C(C)(C)C)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide?
The InChIKey is VOZZLLLZZYNHOH-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-15(2,3)23(20,21)16-12(14(19)17(4)22-5)13(18)11-9-7-6-8-10-11/h6-10,12-13,16,18H,1-5H3/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide?
(2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide has a molecular weight of 344.43 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 101053354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).