[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate

C23H29N3O5S — CID 24979953

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C23H29N3O5S/c1-24(2)32(29,30)19-11-12-21(26-13-7-8-14-26)20(15-19)23(28)31-17-22(27)25(3)16-18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3
InChIKeyORSGUBGWMXUCPS-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.35
Rot. Bonds8

About [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate (PubChem CID 24979953) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
PubChem CID24979953
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C23H29N3O5S/c1-24(2)32(29,30)19-11-12-21(26-13-7-8-14-26)20(15-19)23(28)31-17-22(27)25(3)16-18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3
InChIKeyORSGUBGWMXUCPS-UHFFFAOYSA-N
XLogP2.35
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate (CID 24979953) is [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate is CN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate?
The InChIKey is ORSGUBGWMXUCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-24(2)32(29,30)19-11-12-21(26-13-7-8-14-26)20(15-19)23(28)31-17-22(27)25(3)16-18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate has a molecular weight of 459.57 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 24979953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).