[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate

C23H22N2O5S — CID 2512714

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
SMILESCCN(C(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O5S/c1-2-25(20-11-7-4-8-12-20)22(26)17-30-23(27)18-13-15-21(16-14-18)31(28,29)24-19-9-5-3-6-10-19/h3-16,24H,2,17H2,1H3
InChIKeyXHCNQEHEPPPLAE-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.70
Rot. Bonds8

About [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate

[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate (PubChem CID 2512714) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
PubChem CID2512714
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
SMILESCCN(C(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H22N2O5S/c1-2-25(20-11-7-4-8-12-20)22(26)17-30-23(27)18-13-15-21(16-14-18)31(28,29)24-19-9-5-3-6-10-19/h3-16,24H,2,17H2,1H3
InChIKeyXHCNQEHEPPPLAE-UHFFFAOYSA-N
XLogP3.70
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)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-ethylanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623656
[2-(N-ethylanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 55320780
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511993
[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7740998
[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507754
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
CID 2372648
[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2431081
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2450471
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 41144633
ethyl 4-[(N-phenylanilino)sulfamoyl]benzoate
CID 2405740

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate (CID 2512714) is [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate is CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
The InChIKey is XHCNQEHEPPPLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-2-25(20-11-7-4-8-12-20)22(26)17-30-23(27)18-13-15-21(16-14-18)31(28,29)24-19-9-5-3-6-10-19/h3-16,24H,2,17H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate?
[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate has a molecular weight of 438.51 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 2512714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).