N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H13F3N2O4S — CID 87002433

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1ccc(NC(=O)COCC(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C11H13F3N2O4S/c1-7-2-3-8(4-9(7)21(15,18)19)16-10(17)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyXHMCUAXJSRHNPG-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.16
Rot. Bonds5

About N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 87002433) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID87002433
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1ccc(NC(=O)COCC(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C11H13F3N2O4S/c1-7-2-3-8(4-9(7)21(15,18)19)16-10(17)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyXHMCUAXJSRHNPG-UHFFFAOYSA-N
XLogP1.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208716
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103805332
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
CID 55366679
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 55569249
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
2-(2-iodophenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38879249
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56520446

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 87002433) is N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1ccc(NC(=O)COCC(F)(F)F)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is XHMCUAXJSRHNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-7-2-3-8(4-9(7)21(15,18)19)16-10(17)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 326.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 87002433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).