2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide

C18H19F3N2O3S — CID 2890670

IUPAC2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H19F3N2O3S/c1-13(14-7-4-3-5-8-14)22-17(24)12-23(27(2,25)26)16-10-6-9-15(11-16)18(19,20)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyZWXXEBNFLWPJJQ-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.35
Rot. Bonds6

About 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide

2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide (PubChem CID 2890670) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide
PubChem CID2890670
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H19F3N2O3S/c1-13(14-7-4-3-5-8-14)22-17(24)12-23(27(2,25)26)16-10-6-9-15(11-16)18(19,20)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyZWXXEBNFLWPJJQ-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide (CID 2890670) is 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide?
The InChIKey is ZWXXEBNFLWPJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-13(14-7-4-3-5-8-14)22-17(24)12-23(27(2,25)26)16-10-6-9-15(11-16)18(19,20)21/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide?
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide has a molecular weight of 400.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2890670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).