2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C17H16F3NO3S — CID 5223974

IUPAC2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO3S/c1-25(23,24)15-7-5-12(6-8-15)10-16(22)21-11-13-3-2-4-14(9-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyPUUUGWKHZPISAZ-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 5223974) has the molecular formula C17H16F3NO3S and a molecular weight of 371.38 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID5223974
Molecular FormulaC17H16F3NO3S
Molecular Weight371.38 g/mol
Exact Mass371.08
IUPAC Name2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO3S/c1-25(23,24)15-7-5-12(6-8-15)10-16(22)21-11-13-3-2-4-14(9-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyPUUUGWKHZPISAZ-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfonylacetic acid
CID 3767269
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
[3-[4-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenyl]sulfonylphenyl]methylcarbamic acid
CID 146198661
N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3640741
N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69341997
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46512922
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100563559

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 5223974) is 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is PUUUGWKHZPISAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S/c1-25(23,24)15-7-5-12(6-8-15)10-16(22)21-11-13-3-2-4-14(9-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 371.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 5223974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).