[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate

C19H22N2O6S — CID 7777321

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C19H22N2O6S/c1-3-21(4-2)28(25,26)17-7-5-6-15(12-17)20-18(23)13-27-19(24)14-8-10-16(22)11-9-14/h5-12,22H,3-4,13H2,1-2H3,(H,20,23)
InChIKeyUYWYEOOOTCHSDY-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.22
Rot. Bonds8

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 7777321) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
PubChem CID7777321
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C19H22N2O6S/c1-3-21(4-2)28(25,26)17-7-5-6-15(12-17)20-18(23)13-27-19(24)14-8-10-16(22)11-9-14/h5-12,22H,3-4,13H2,1-2H3,(H,20,23)
InChIKeyUYWYEOOOTCHSDY-UHFFFAOYSA-N
XLogP2.22
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate 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-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 42985535
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505971
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 3654824
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 166207634

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate (CID 7777321) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is UYWYEOOOTCHSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-3-21(4-2)28(25,26)17-7-5-6-15(12-17)20-18(23)13-27-19(24)14-8-10-16(22)11-9-14/h5-12,22H,3-4,13H2,1-2H3,(H,20,23).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 406.46 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 7777321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).