2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C20H24N2O4S — CID 9104418

IUPAC2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-16-9-10-18(27(24,25)22-12-5-6-13-22)15-19(16)20(23)21-11-14-26-17-7-3-2-4-8-17/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,21,23)
InChIKeyLALWYSBGJYROGZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.59
Rot. Bonds7

About 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9104418) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9104418
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-16-9-10-18(27(24,25)22-12-5-6-13-22)15-19(16)20(23)21-11-14-26-17-7-3-2-4-8-17/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,21,23)
InChIKeyLALWYSBGJYROGZ-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide 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-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 9104418) is 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LALWYSBGJYROGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-9-10-18(27(24,25)22-12-5-6-13-22)15-19(16)20(23)21-11-14-26-17-7-3-2-4-8-17/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,21,23).
What are the key properties of 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9104418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).