[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

C21H25NO6S — CID 9309760

IUPAC[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C21H25NO6S/c1-21(2,3)15-9-5-7-11-17(15)27-14-20(24)28-13-19(23)22-16-10-6-8-12-18(16)29(4,25)26/h5-12H,13-14H2,1-4H3,(H,22,23)
InChIKeyGNLOIJHNXSKNHU-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.95
Rot. Bonds7

About [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 9309760) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
PubChem CID9309760
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C21H25NO6S/c1-21(2,3)15-9-5-7-11-17(15)27-14-20(24)28-13-19(23)22-16-10-6-8-12-18(16)29(4,25)26/h5-12H,13-14H2,1-4H3,(H,22,23)
InChIKeyGNLOIJHNXSKNHU-UHFFFAOYSA-N
XLogP2.95
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8551082
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701050
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701014
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8638261
2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701384
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701125
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 26675454

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (CID 9309760) is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is CC(C)(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is GNLOIJHNXSKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-21(2,3)15-9-5-7-11-17(15)27-14-20(24)28-13-19(23)22-16-10-6-8-12-18(16)29(4,25)26/h5-12H,13-14H2,1-4H3,(H,22,23).
What are the key properties of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 419.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 9309760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).