[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate

C23H22N2O5S — CID 2602433

IUPAC[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O5S/c1-25(2)31(28,29)21-14-10-19(11-15-21)23(27)30-16-22(26)24-20-12-8-18(9-13-20)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyBSPXIWNNQIOKLP-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.40
Rot. Bonds7

About [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate

[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 2602433) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID2602433
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O5S/c1-25(2)31(28,29)21-14-10-19(11-15-21)23(27)30-16-22(26)24-20-12-8-18(9-13-20)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyBSPXIWNNQIOKLP-UHFFFAOYSA-N
XLogP3.40
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514566
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603643
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 55316710
[2-(3,5-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2115425
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392
[2-(benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
methyl 2-[[2-[4-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 2603679
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515162
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603676
[2-(2-tert-butylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602460
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate (CID 2602433) is [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is BSPXIWNNQIOKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-25(2)31(28,29)21-14-10-19(11-15-21)23(27)30-16-22(26)24-20-12-8-18(9-13-20)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,24,26).
What are the key properties of [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate?
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 438.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2602433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).