2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate

C30H38O11S2 — CID 118650308

IUPAC2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
SMILESC=C(CS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOCCOCCOCCOC(=O)C(=C)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H38O11S2/c1-23-5-9-27(10-6-23)42(33,34)21-25(3)29(31)40-19-17-38-15-13-37-14-16-39-18-20-41-30(32)26(4)22-43(35,36)28-11-7-24(2)8-12-28/h5-12H,3-4,13-22H2,1-2H3
InChIKeyBDSPQZRKYYVTIC-UHFFFAOYSA-N
MW638.76 g/mol
LogP2.80
Rot. Bonds20

About 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate

2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate (PubChem CID 118650308) has the molecular formula C30H38O11S2 and a molecular weight of 638.76 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
PubChem CID118650308
Molecular FormulaC30H38O11S2
Molecular Weight638.76 g/mol
Exact Mass638.19
IUPAC Name2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
SMILESC=C(CS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOCCOCCOCCOC(=O)C(=C)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H38O11S2/c1-23-5-9-27(10-6-23)42(33,34)21-25(3)29(31)40-19-17-38-15-13-37-14-16-39-18-20-41-30(32)26(4)22-43(35,36)28-11-7-24(2)8-12-28/h5-12H,3-4,13-22H2,1-2H3
InChIKeyBDSPQZRKYYVTIC-UHFFFAOYSA-N
XLogP2.80
TPSA148.57 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.76
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
CID 118650319
2-phenoxyethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
CID 134503885
10-(2-methylprop-2-enoyloxy)decyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
CID 150357429
ethyl 2-(bromomethyl)prop-2-enoate;ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate;4-methylbenzenesulfonate
CID 159316240
2-[2-[2-[2-(4-methylphenyl)sulfonyloxyprop-2-enoyloxy]ethoxy]ethoxy]ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 122677510
bis[2-(4-methylphenyl)sulfonylethyl] oxalate
CID 58807069
2-[2-[2-[4-methyl-5-(4-methylphenyl)sulfonylpentoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 172829854
2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoic acid;bis(prop-1-ene)
CID 144994130
3-(4-methylphenyl)sulfonylprop-1-en-2-yl acetate
CID 12592297
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propan-2-ylazanium;4-methylbenzenesulfonate
CID 139767856
1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
CID 71437493

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate?
The IUPAC name of 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate (CID 118650308) is 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate is C=C(CS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOCCOCCOCCOC(=O)C(=C)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate?
The InChIKey is BDSPQZRKYYVTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O11S2/c1-23-5-9-27(10-6-23)42(33,34)21-25(3)29(31)40-19-17-38-15-13-37-14-16-39-18-20-41-30(32)26(4)22-43(35,36)28-11-7-24(2)8-12-28/h5-12H,3-4,13-22H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate?
2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate has a molecular weight of 638.76 g/mol, XLogP of 2.80, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate is sourced from PubChem (CID 118650308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).