[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

C15H22N2O5S — CID 2433856

IUPAC[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O5S/c1-15(2,3)16-13(18)10-22-14(19)11-6-8-12(9-7-11)23(20,21)17(4)5/h6-9H,10H2,1-5H3,(H,16,18)
InChIKeyBFAMWMMGEKXYQX-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.01
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 2433856) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID2433856
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O5S/c1-15(2,3)16-13(18)10-22-14(19)11-6-8-12(9-7-11)23(20,21)17(4)5/h6-9H,10H2,1-5H3,(H,16,18)
InChIKeyBFAMWMMGEKXYQX-UHFFFAOYSA-N
XLogP1.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-tert-butylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602460
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514566
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602452
[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
[2-(3,5-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2115425
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603676
[2-(tert-butylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2602250
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2428192
[2-(tert-butylamino)-2-oxoethyl] 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2600612

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (CID 2433856) is [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is BFAMWMMGEKXYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-15(2,3)16-13(18)10-22-14(19)11-6-8-12(9-7-11)23(20,21)17(4)5/h6-9H,10H2,1-5H3,(H,16,18).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 342.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2433856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).