3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C17H26N2O3S — CID 4142948

IUPAC3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccccc1CS(=O)(=O)CCC(=O)NCCN1CCCC1
InChIInChI=1S/C17H26N2O3S/c1-15-6-2-3-7-16(15)14-23(21,22)13-8-17(20)18-9-12-19-10-4-5-11-19/h2-3,6-7H,4-5,8-14H2,1H3,(H,18,20)
InChIKeyPLMKROPLWKHEAD-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.51
Rot. Bonds8

About 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide

3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 4142948) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID4142948
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccccc1CS(=O)(=O)CCC(=O)NCCN1CCCC1
InChIInChI=1S/C17H26N2O3S/c1-15-6-2-3-7-16(15)14-23(21,22)13-8-17(20)18-9-12-19-10-4-5-11-19/h2-3,6-7H,4-5,8-14H2,1H3,(H,18,20)
InChIKeyPLMKROPLWKHEAD-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide 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 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 4142948) is 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1ccccc1CS(=O)(=O)CCC(=O)NCCN1CCCC1.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is PLMKROPLWKHEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-15-6-2-3-7-16(15)14-23(21,22)13-8-17(20)18-9-12-19-10-4-5-11-19/h2-3,6-7H,4-5,8-14H2,1H3,(H,18,20).
What are the key properties of 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 338.47 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 4142948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).