[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate

C20H24N2O6S — CID 30918870

IUPAC[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H24N2O6S/c1-15-7-6-9-17(11-15)27-14-20(24)28-13-19(23)21-12-16-8-4-5-10-18(16)29(25,26)22(2)3/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeyZBUJJCIWHFVUON-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.48
Rot. Bonds9

About [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate (PubChem CID 30918870) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
PubChem CID30918870
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H24N2O6S/c1-15-7-6-9-17(11-15)27-14-20(24)28-13-19(23)21-12-16-8-4-5-10-18(16)29(25,26)22(2)3/h4-11H,12-14H2,1-3H3,(H,21,23)
InChIKeyZBUJJCIWHFVUON-UHFFFAOYSA-N
XLogP1.48
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55941699
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 55525104
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594688
[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912148
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 55523771
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 31164490
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 37398686
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578267

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate (CID 30918870) is [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1.
What is the InChIKey of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is ZBUJJCIWHFVUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-15-7-6-9-17(11-15)27-14-20(24)28-13-19(23)21-12-16-8-4-5-10-18(16)29(25,26)22(2)3/h4-11H,12-14H2,1-3H3,(H,21,23).
What are the key properties of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate?
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 420.49 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 30918870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).