2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

C20H23NO5S — CID 55321942

IUPAC2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCCc1cccc(OCCOC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C20H23NO5S/c1-2-17-9-6-10-19(15-17)25-12-13-26-20(22)16-21-27(23,24)14-11-18-7-4-3-5-8-18/h3-11,14-15,21H,2,12-13,16H2,1H3/b14-11+
InChIKeyIQNQGVPYTGNFOI-SDNWHVSQSA-N
MW389.47 g/mol
LogP2.76
Rot. Bonds10

About 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 55321942) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID55321942
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCCc1cccc(OCCOC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C20H23NO5S/c1-2-17-9-6-10-19(15-17)25-12-13-26-20(22)16-21-27(23,24)14-11-18-7-4-3-5-8-18/h3-11,14-15,21H,2,12-13,16H2,1H3/b14-11+
InChIKeyIQNQGVPYTGNFOI-SDNWHVSQSA-N
XLogP2.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
[2-(4-ethylphenyl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826850
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
(E)-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenylethenesulfonamide
CID 60530963
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8892232
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826898
2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate
CID 55316806
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
2-(2-methylphenoxy)ethyl 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 7827992
2-(3-ethylphenoxy)ethyl 2-methylsulfonylbenzoate
CID 55310389
N-(3-ethylphenyl)-2-[2-(4-methylphenyl)ethenylsulfonylamino]acetamide
CID 78785642

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 55321942) is 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is CCc1cccc(OCCOC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is IQNQGVPYTGNFOI-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-2-17-9-6-10-19(15-17)25-12-13-26-20(22)16-21-27(23,24)14-11-18-7-4-3-5-8-18/h3-11,14-15,21H,2,12-13,16H2,1H3/b14-11+.
What are the key properties of 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 389.47 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 55321942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).