3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

C18H27FN2O3S — CID 15995967

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C18H27FN2O3S/c1-15-6-4-5-11-21(15)12-10-20-18(22)9-13-25(23,24)14-16-7-2-3-8-17(16)19/h2-3,7-8,15H,4-6,9-14H2,1H3,(H,20,22)
InChIKeyWHJSXXWBLBHYCS-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.12
Rot. Bonds8

About 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 15995967) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID15995967
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C18H27FN2O3S/c1-15-6-4-5-11-21(15)12-10-20-18(22)9-13-25(23,24)14-16-7-2-3-8-17(16)19/h2-3,7-8,15H,4-6,9-14H2,1H3,(H,20,22)
InChIKeyWHJSXXWBLBHYCS-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]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-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (CID 15995967) is 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is CC1CCCCN1CCNC(=O)CCS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is WHJSXXWBLBHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c1-15-6-4-5-11-21(15)12-10-20-18(22)9-13-25(23,24)14-16-7-2-3-8-17(16)19/h2-3,7-8,15H,4-6,9-14H2,1H3,(H,20,22).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 370.49 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 15995967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).