2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C17H17F3N2O3S — CID 2192140

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)22(11-13-6-3-2-4-7-13)12-16(23)21-15-9-5-8-14(10-15)17(18,19)20/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyNJZUJPMLQAFXGE-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.11
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2192140) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2192140
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)22(11-13-6-3-2-4-7-13)12-16(23)21-15-9-5-8-14(10-15)17(18,19)20/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyNJZUJPMLQAFXGE-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2192140) is 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NJZUJPMLQAFXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-26(24,25)22(11-13-6-3-2-4-7-13)12-16(23)21-15-9-5-8-14(10-15)17(18,19)20/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 386.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2192140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).