N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

C13H17F3N2O4S — CID 134005218

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCOCC(F)(F)F)ccc1C
InChIInChI=1S/C13H17F3N2O4S/c1-9-3-4-10(7-11(9)23(20,21)17-2)18-12(19)5-6-22-8-13(14,15)16/h3-4,7,17H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyCNYKPTMGNZGEPL-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.81
Rot. Bonds7

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 134005218) has the molecular formula C13H17F3N2O4S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID134005218
Molecular FormulaC13H17F3N2O4S
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCOCC(F)(F)F)ccc1C
InChIInChI=1S/C13H17F3N2O4S/c1-9-3-4-10(7-11(9)23(20,21)17-2)18-12(19)5-6-22-8-13(14,15)16/h3-4,7,17H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyCNYKPTMGNZGEPL-UHFFFAOYSA-N
XLogP1.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510085
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199194
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 134005218) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is CNS(=O)(=O)c1cc(NC(=O)CCOCC(F)(F)F)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CNYKPTMGNZGEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O4S/c1-9-3-4-10(7-11(9)23(20,21)17-2)18-12(19)5-6-22-8-13(14,15)16/h3-4,7,17H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 354.35 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 134005218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).