[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

C24H24N2O5S — CID 23965276

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O5S/c1-26(2)32(29,30)21-15-9-14-20(16-21)24(28)31-17-22(27)25-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16,23H,17H2,1-2H3,(H,25,27)
InChIKeyIWAJRPBKMDOUCG-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.00
Rot. Bonds8

About [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 23965276) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID23965276
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O5S/c1-26(2)32(29,30)21-15-9-14-20(16-21)24(28)31-17-22(27)25-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16,23H,17H2,1-2H3,(H,25,27)
InChIKeyIWAJRPBKMDOUCG-UHFFFAOYSA-N
XLogP3.00
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960640
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017791
[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854042
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960790
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524366
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017786
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
[2-(methylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753650
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017790
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960646

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (CID 23965276) is [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is IWAJRPBKMDOUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-26(2)32(29,30)21-15-9-14-20(16-21)24(28)31-17-22(27)25-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-16,23H,17H2,1-2H3,(H,25,27).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 452.53 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 23965276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).