ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate

C19H22N2O4S — CID 92527840

IUPACethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate
SMILESCCOC(=O)[C@](C)(/C=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-4-25-18(22)19(3,16-8-6-5-7-9-16)14-20-21-26(23,24)17-12-10-15(2)11-13-17/h5-14,21H,4H2,1-3H3/b20-14+/t19-/m1/s1
InChIKeyUPLAEZJRLOKVSO-YFQSIASUSA-N
MW374.46 g/mol
LogP2.78
Rot. Bonds7

About ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate

ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate (PubChem CID 92527840) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate
PubChem CID92527840
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Nameethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate
SMILESCCOC(=O)[C@](C)(/C=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-4-25-18(22)19(3,16-8-6-5-7-9-16)14-20-21-26(23,24)17-12-10-15(2)11-13-17/h5-14,21H,4H2,1-3H3/b20-14+/t19-/m1/s1
InChIKeyUPLAEZJRLOKVSO-YFQSIASUSA-N
XLogP2.78
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate 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

ethyl 3,3-dimethyl-2-(4-methylphenyl)sulfonyloxy-2-phenylbutanoate
CID 141263651
ethyl (2R)-3-methylidene-2-[(4-methylphenyl)sulfonylamino]-4-oxo-2-phenylhexanoate
CID 134949166
ethyl 2-amino-2-(benzenesulfonamido)propanoate
CID 57069494
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
[1,11-diethoxy-2,10-dimethyl-6-(4-methylphenyl)sulfonyl-1,11-dioxo-2,10-diphenylundecan-6-yl]-methylidyneazanium
CID 142212066
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
ethyl 3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]-2-phenylmethoxypropanoate
CID 3567506
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)butanoate
CID 5248244
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate?
The IUPAC name of ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate (CID 92527840) is ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate.
What is the SMILES notation for ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate?
The canonical SMILES for ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate is CCOC(=O)[C@](C)(/C=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate?
The InChIKey is UPLAEZJRLOKVSO-YFQSIASUSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-25-18(22)19(3,16-8-6-5-7-9-16)14-20-21-26(23,24)17-12-10-15(2)11-13-17/h5-14,21H,4H2,1-3H3/b20-14+/t19-/m1/s1.
What are the key properties of ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate?
ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate has a molecular weight of 374.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate is sourced from PubChem (CID 92527840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).