N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C17H17F3N2O4S — CID 9165818

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)13-2-1-3-14(10-13)26-11-16(23)22-9-8-12-4-6-15(7-5-12)27(21,24)25/h1-7,10H,8-9,11H2,(H,22,23)(H2,21,24,25)
InChIKeyZDWQZRREBLDPIL-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 9165818) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID9165818
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)13-2-1-3-14(10-13)26-11-16(23)22-9-8-12-4-6-15(7-5-12)27(21,24)25/h1-7,10H,8-9,11H2,(H,22,23)(H2,21,24,25)
InChIKeyZDWQZRREBLDPIL-UHFFFAOYSA-N
XLogP2.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 9165818) is N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)COc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZDWQZRREBLDPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)13-2-1-3-14(10-13)26-11-16(23)22-9-8-12-4-6-15(7-5-12)27(21,24)25/h1-7,10H,8-9,11H2,(H,22,23)(H2,21,24,25).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 402.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 9165818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).