1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C21H26N2O3S — CID 610804

IUPAC1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16(2)18-12-10-17(11-13-18)15-22-21(24)20-9-6-14-23(20)27(25,26)19-7-4-3-5-8-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)
InChIKeyJIFZUSLTYVWJNU-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.28
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 610804) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID610804
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-16(2)18-12-10-17(11-13-18)15-22-21(24)20-9-6-14-23(20)27(25,26)19-7-4-3-5-8-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)
InChIKeyJIFZUSLTYVWJNU-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide 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 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 610804) is 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)c1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JIFZUSLTYVWJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16(2)18-12-10-17(11-13-18)15-22-21(24)20-9-6-14-23(20)27(25,26)19-7-4-3-5-8-19/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24).
What are the key properties of 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 610804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).