methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate

C24H23NO4S — CID 67019546

IUPACmethyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(S(=O)(=O)NC(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO4S/c1-29-24(26)16-15-20-11-8-14-22(17-20)30(27,28)25-23(21-12-6-3-7-13-21)18-19-9-4-2-5-10-19/h2-17,23,25H,18H2,1H3/b16-15+
InChIKeyAAKRTIKXGZDAPN-FOCLMDBBSA-N
MW421.52 g/mol
LogP4.14
Rot. Bonds8

About methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate

methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate (PubChem CID 67019546) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate
PubChem CID67019546
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Namemethyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(S(=O)(=O)NC(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO4S/c1-29-24(26)16-15-20-11-8-14-22(17-20)30(27,28)25-23(21-12-6-3-7-13-21)18-19-9-4-2-5-10-19/h2-17,23,25H,18H2,1H3/b16-15+
InChIKeyAAKRTIKXGZDAPN-FOCLMDBBSA-N
XLogP4.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate 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

3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenesulfonate
CID 59145590
3-[3-(benzhydrylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019562
methyl 3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 67019511
3-[3-(propan-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 54971829
4-O-[2-(benzenesulfonamido)-3-phenylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 126491777
methyl (E)-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 20780474
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
methyl 4-[4-[1-(benzenesulfonamido)-2-phenylethyl]phenyl]butanoate
CID 23353880
methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate
CID 67019528
3-[3-(benzylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019640
N-benzyl-3-[(E)-4-hydroxy-3-oxobut-1-enyl]benzenesulfonamide
CID 159114117

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate (CID 67019546) is methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate is COC(=O)/C=C/c1cccc(S(=O)(=O)NC(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate?
The InChIKey is AAKRTIKXGZDAPN-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-29-24(26)16-15-20-11-8-14-22(17-20)30(27,28)25-23(21-12-6-3-7-13-21)18-19-9-4-2-5-10-19/h2-17,23,25H,18H2,1H3/b16-15+.
What are the key properties of methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate?
methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate has a molecular weight of 421.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 67019546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).