[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate

C19H22N2O6S — CID 7841332

IUPAC[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C19H22N2O6S/c1-21(2)28(24,25)17-10-8-15(9-11-17)20-18(22)14-27-19(23)12-13-26-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyFHKRRJWMYKIETB-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.89
Rot. Bonds9

About [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 7841332) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
PubChem CID7841332
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C19H22N2O6S/c1-21(2)28(24,25)17-10-8-15(9-11-17)20-18(22)14-27-19(23)12-13-26-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyFHKRRJWMYKIETB-UHFFFAOYSA-N
XLogP1.89
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 2399979
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433
N-[4-(dimethylsulfamoyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 8917809
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841536
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811085
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2632951
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841558

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate (CID 7841332) is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate is CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCOc2ccccc2)cc1.
What is the InChIKey of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is FHKRRJWMYKIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-21(2)28(24,25)17-10-8-15(9-11-17)20-18(22)14-27-19(23)12-13-26-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,22).
What are the key properties of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate?
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 406.46 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate is sourced from PubChem (CID 7841332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).