3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide

C19H23N3O3S — CID 23394571

IUPAC3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)16-8-6-15(7-9-16)17(12-14-4-2-3-5-14)19(23)22-18-13-20-10-11-21-18/h6-11,13-14,17H,2-5,12H2,1H3,(H,21,22,23)
InChIKeyPJWXGJMLDUIEPG-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.18
Rot. Bonds6

About 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide

3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide (PubChem CID 23394571) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide
PubChem CID23394571
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)16-8-6-15(7-9-16)17(12-14-4-2-3-5-14)19(23)22-18-13-20-10-11-21-18/h6-11,13-14,17H,2-5,12H2,1H3,(H,21,22,23)
InChIKeyPJWXGJMLDUIEPG-UHFFFAOYSA-N
XLogP3.18
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide 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-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide (CID 23394571) is 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide?
The InChIKey is PJWXGJMLDUIEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26(24,25)16-8-6-15(7-9-16)17(12-14-4-2-3-5-14)19(23)22-18-13-20-10-11-21-18/h6-11,13-14,17H,2-5,12H2,1H3,(H,21,22,23).
What are the key properties of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide?
3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 23394571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).