2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

C23H29NO6S — CID 4566695

IUPAC2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SMILESCCOc1ccc(OCCOC(=O)C=Cc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C23H29NO6S/c1-4-24(5-2)31(26,27)22-14-7-19(8-15-22)9-16-23(25)30-18-17-29-21-12-10-20(11-13-21)28-6-3/h7-16H,4-6,17-18H2,1-3H3
InChIKeyFFVQVDOJFAQRNI-UHFFFAOYSA-N
MW447.55 g/mol
LogP3.75
Rot. Bonds12

About 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (PubChem CID 4566695) has the molecular formula C23H29NO6S and a molecular weight of 447.55 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
PubChem CID4566695
Molecular FormulaC23H29NO6S
Molecular Weight447.55 g/mol
Exact Mass447.17
IUPAC Name2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SMILESCCOc1ccc(OCCOC(=O)C=Cc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C23H29NO6S/c1-4-24(5-2)31(26,27)22-14-7-19(8-15-22)9-16-23(25)30-18-17-29-21-12-10-20(11-13-21)28-6-3/h7-16H,4-6,17-18H2,1-3H3
InChIKeyFFVQVDOJFAQRNI-UHFFFAOYSA-N
XLogP3.75
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-ethoxyphenyl)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 31114886
methyl 4-[(E)-3-[2-[4-(dimethylsulfamoyl)phenoxy]ethoxy]-3-oxoprop-1-enyl]benzoate
CID 39601554
(4-tert-butylphenyl) 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 3978081
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2578921
cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 75981739
but-3-ynyl 3-(4-ethoxyphenyl)prop-2-enoate
CID 76868723
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227080
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 6116132
(2-anilino-2-oxoethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2579080
(2-amino-2-oxo-1-phenylethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16596571
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (CID 4566695) is 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is CCOc1ccc(OCCOC(=O)C=Cc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
The InChIKey is FFVQVDOJFAQRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6S/c1-4-24(5-2)31(26,27)22-14-7-19(8-15-22)9-16-23(25)30-18-17-29-21-12-10-20(11-13-21)28-6-3/h7-16H,4-6,17-18H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?
2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate has a molecular weight of 447.55 g/mol, XLogP of 3.75, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 4566695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).