3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide

C17H19FN2O3S — CID 113138694

IUPAC3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-24(22,23)20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyWQCQIBULMOAQPL-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.62
Rot. Bonds7

About 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide

3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide (PubChem CID 113138694) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
PubChem CID113138694
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-24(22,23)20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyWQCQIBULMOAQPL-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
3-[benzyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113138727
N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140376
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide (CID 113138694) is 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide?
The InChIKey is WQCQIBULMOAQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-24(22,23)20(13-14-5-3-2-4-6-14)12-11-17(21)19-16-9-7-15(18)8-10-16/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide?
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113138694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).