[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

C20H24N2O5S — CID 2431081

IUPAC[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-4-22(5-2)28(25,26)18-13-11-16(12-14-18)20(24)27-15-19(23)21(3)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3
InChIKeyBHXKXMJSAVRVOI-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.54
Rot. Bonds8

About [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 2431081) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID2431081
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-4-22(5-2)28(25,26)18-13-11-16(12-14-18)20(24)27-15-19(23)21(3)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3
InChIKeyBHXKXMJSAVRVOI-UHFFFAOYSA-N
XLogP2.54
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)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-(N-methylanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943232
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557613
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 8705370
[2-(N-methylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 71823629
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557690
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
CID 8643844
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 7377113
[2-(N-methylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976405

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 2431081) is [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is BHXKXMJSAVRVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-22(5-2)28(25,26)18-13-11-16(12-14-18)20(24)27-15-19(23)21(3)17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 404.49 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2431081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).