tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate

C19H28N2O5S — CID 163274925

IUPACtert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate
SMILESCOc1ccc(CNS(=O)(=O)/C=C/CC2CN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H28N2O5S/c1-19(2,3)26-18(22)21-13-16(14-21)6-5-11-27(23,24)20-12-15-7-9-17(25-4)10-8-15/h5,7-11,16,20H,6,12-14H2,1-4H3/b11-5+
InChIKeyCAZQZCGURSLCAS-VZUCSPMQSA-N
MW396.51 g/mol
LogP2.89
Rot. Bonds7

About tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate

tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate (PubChem CID 163274925) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate
PubChem CID163274925
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Nametert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate
SMILESCOc1ccc(CNS(=O)(=O)/C=C/CC2CN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H28N2O5S/c1-19(2,3)26-18(22)21-13-16(14-21)6-5-11-27(23,24)20-12-15-7-9-17(25-4)10-8-15/h5,7-11,16,20H,6,12-14H2,1-4H3/b11-5+
InChIKeyCAZQZCGURSLCAS-VZUCSPMQSA-N
XLogP2.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate 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

tert-butyl 3-[2-[(4-methoxyphenyl)methylsulfamoyl]ethyl]azetidine-1-carboxylate
CID 163274974
tert-butyl 6-[(4-methoxyphenyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397872
tert-butyl 7-[(4-methoxyphenyl)methyl]-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 129276127
tert-butyl (2S)-2-[4-[(4-chlorophenyl)methylsulfamoyl]but-3-enyl]pyrrolidine-1-carboxylate
CID 57190721
tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate
CID 118238217
tert-butyl 3-[(benzylamino)methyl]azetidine-1-carboxylate
CID 53415255
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]but-2-enoic acid
CID 174922247
tert-butyl 3-[bis[(4-methoxyphenyl)methyl]sulfinamoyl]azetidine-1-carboxylate
CID 137403777
tert-butyl (3S,4R)-3-(4-methoxyphenyl)-4-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 153407398
tert-butyl (3S)-3-[(4-methoxyphenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97168234
(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 97168230
tert-butyl 3-[2-[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]piperidine-1-carboxylate;hydroiodide
CID 111799539

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate (CID 163274925) is tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate is COc1ccc(CNS(=O)(=O)/C=C/CC2CN(C(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate?
The InChIKey is CAZQZCGURSLCAS-VZUCSPMQSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-19(2,3)26-18(22)21-13-16(14-21)6-5-11-27(23,24)20-12-15-7-9-17(25-4)10-8-15/h5,7-11,16,20H,6,12-14H2,1-4H3/b11-5+.
What are the key properties of tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate?
tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate has a molecular weight of 396.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(E)-3-[(4-methoxyphenyl)methylsulfamoyl]prop-2-enyl]azetidine-1-carboxylate is sourced from PubChem (CID 163274925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).