2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate

C18H21NO5S — CID 8568254

IUPAC2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H21NO5S/c1-18(2,14-6-4-3-5-7-14)17(20)24-13-12-23-15-8-10-16(11-9-15)25(19,21)22/h3-11H,12-13H2,1-2H3,(H2,19,21,22)
InChIKeyYRXPCTSHNQTFNA-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.23
Rot. Bonds7

About 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate

2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate (PubChem CID 8568254) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
PubChem CID8568254
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H21NO5S/c1-18(2,14-6-4-3-5-7-14)17(20)24-13-12-23-15-8-10-16(11-9-15)25(19,21)22/h3-11H,12-13H2,1-2H3,(H2,19,21,22)
InChIKeyYRXPCTSHNQTFNA-UHFFFAOYSA-N
XLogP2.23
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.23
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

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate
CID 7984597
2-(4-tritylphenoxy)ethyl 2,2-dimethylbutanoate
CID 156654615
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
2-(4-triphenylsilylphenoxy)ethyl 2,2-dimethylbutanoate
CID 156654620
prop-2-enyl 3-[2-methyl-1-[2-(4-methylphenoxy)ethoxy]-1-oxopropan-2-yl]benzoate
CID 142168800
2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 40661255
2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate
CID 35193490
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
2-(2,2-diphenylpropanoyloxy)ethyl-trimethylazanium
CID 21299458

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate (CID 8568254) is 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate is CC(C)(C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate?
The InChIKey is YRXPCTSHNQTFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-18(2,14-6-4-3-5-7-14)17(20)24-13-12-23-15-8-10-16(11-9-15)25(19,21)22/h3-11H,12-13H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate?
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate has a molecular weight of 363.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 8568254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).