2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C17H17F3N2O4S — CID 1100041

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-26-15-8-6-14(7-9-15)22(27(2,24)25)11-16(23)21-13-5-3-4-12(10-13)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyQFBWWBDFBJQEHH-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1100041) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1100041
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-26-15-8-6-14(7-9-15)22(27(2,24)25)11-16(23)21-13-5-3-4-12(10-13)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyQFBWWBDFBJQEHH-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1100041) is 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QFBWWBDFBJQEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-26-15-8-6-14(7-9-15)22(27(2,24)25)11-16(23)21-13-5-3-4-12(10-13)17(18,19)20/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 402.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1100041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).