2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate

C24H26O6S — CID 67831254

IUPAC2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccccc1S(=O)(=O)c1ccccc1CCOC(=O)C(=C)C
InChIInChI=1S/C24H26O6S/c1-17(2)23(25)29-15-13-19-9-5-7-11-21(19)31(27,28)22-12-8-6-10-20(22)14-16-30-24(26)18(3)4/h5-12H,1,3,13-16H2,2,4H3
InChIKeyDWABLTXFUHGPFV-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.84
Rot. Bonds10

About 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate

2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate (PubChem CID 67831254) has the molecular formula C24H26O6S and a molecular weight of 442.53 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate
PubChem CID67831254
Molecular FormulaC24H26O6S
Molecular Weight442.53 g/mol
Exact Mass442.15
IUPAC Name2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccccc1S(=O)(=O)c1ccccc1CCOC(=O)C(=C)C
InChIInChI=1S/C24H26O6S/c1-17(2)23(25)29-15-13-19-9-5-7-11-21(19)31(27,28)22-12-8-6-10-20(22)14-16-30-24(26)18(3)4/h5-12H,1,3,13-16H2,2,4H3
InChIKeyDWABLTXFUHGPFV-UHFFFAOYSA-N
XLogP3.84
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide
CID 172855401
2-[2-(2-methylprop-2-enoyloxy)ethyl]benzoic acid;phosphoric acid
CID 118541677
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-(benzenesulfonylperoxy)ethyl 2-methylprop-2-enoate
CID 160633898
2-[2-[(2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)oxy]phenyl]ethyl 2-methylprop-2-enoate
CID 139900698
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]sulfonylphenoxy]ethyl 2-methylprop-2-enoate
CID 22239251
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
CID 175978198
CID 175978198
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate (CID 67831254) is 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1ccccc1S(=O)(=O)c1ccccc1CCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is DWABLTXFUHGPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6S/c1-17(2)23(25)29-15-13-19-9-5-7-11-21(19)31(27,28)22-12-8-6-10-20(22)14-16-30-24(26)18(3)4/h5-12H,1,3,13-16H2,2,4H3.
What are the key properties of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate?
2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 442.53 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 67831254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).