3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide

C19H22F2N2O3S — CID 113140274

IUPAC3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)CCc1ccccc1F
InChIInChI=1S/C19H22F2N2O3S/c1-27(25,26)23(12-10-16-4-2-3-5-18(16)21)13-11-19(24)22-14-15-6-8-17(20)9-7-15/h2-9H,10-14H2,1H3,(H,22,24)
InChIKeyVSPBCZGEHQEYQJ-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.48
Rot. Bonds9

About 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide

3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 113140274) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID113140274
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)CCc1ccccc1F
InChIInChI=1S/C19H22F2N2O3S/c1-27(25,26)23(12-10-16-4-2-3-5-18(16)21)13-11-19(24)22-14-15-6-8-17(20)9-7-15/h2-9H,10-14H2,1H3,(H,22,24)
InChIKeyVSPBCZGEHQEYQJ-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113151927
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 113151923
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113137549
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139758
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140279
N-[(2-fluorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151835
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136483
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide (CID 113140274) is 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)CCc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is VSPBCZGEHQEYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-27(25,26)23(12-10-16-4-2-3-5-18(16)21)13-11-19(24)22-14-15-6-8-17(20)9-7-15/h2-9H,10-14H2,1H3,(H,22,24).
What are the key properties of 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 396.46 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113140274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).