[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate

C21H26N2O5S — CID 8536329

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O5S/c1-5-23(6-2)29(26,27)19-9-7-8-18(13-19)22-20(24)14-28-21(25)17-11-15(3)10-16(4)12-17/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyMXYQITFYLDANEZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.13
Rot. Bonds8

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate (PubChem CID 8536329) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
PubChem CID8536329
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O5S/c1-5-23(6-2)29(26,27)19-9-7-8-18(13-19)22-20(24)14-28-21(25)17-11-15(3)10-16(4)12-17/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyMXYQITFYLDANEZ-UHFFFAOYSA-N
XLogP3.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate 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] 4-hydroxybenzoate
CID 7777321
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950215
[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-(2-chloro-4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 7044367
2-O-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 29155974
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 3654824
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505971
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546179
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate (CID 8536329) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate?
The InChIKey is MXYQITFYLDANEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-5-23(6-2)29(26,27)19-9-7-8-18(13-19)22-20(24)14-28-21(25)17-11-15(3)10-16(4)12-17/h7-13H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate has a molecular weight of 418.52 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate is sourced from PubChem (CID 8536329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).