N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide

C13H13F3N4O4S — CID 75454138

IUPACN-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)no2)cc1
InChIInChI=1S/C13H13F3N4O4S/c1-2-10(21)18-8-3-5-9(6-4-8)25(22,23)17-7-11-19-12(20-24-11)13(14,15)16/h3-6,17H,2,7H2,1H3,(H,18,21)
InChIKeyIZHYBRIDWWOTGF-UHFFFAOYSA-N
MW378.33 g/mol
LogP1.92
Rot. Bonds6

About N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide

N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide (PubChem CID 75454138) has the molecular formula C13H13F3N4O4S and a molecular weight of 378.33 g/mol. Its IUPAC name is N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide
PubChem CID75454138
Molecular FormulaC13H13F3N4O4S
Molecular Weight378.33 g/mol
Exact Mass378.06
IUPAC NameN-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)no2)cc1
InChIInChI=1S/C13H13F3N4O4S/c1-2-10(21)18-8-3-5-9(6-4-8)25(22,23)17-7-11-19-12(20-24-11)13(14,15)16/h3-6,17H,2,7H2,1H3,(H,18,21)
InChIKeyIZHYBRIDWWOTGF-UHFFFAOYSA-N
XLogP1.92
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide
CID 86959815
N-[4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]acetamide
CID 17101470
N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
CID 119973592
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55556510
N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 3391312
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 3252934

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide (CID 75454138) is N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)no2)cc1.
What is the InChIKey of N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide?
The InChIKey is IZHYBRIDWWOTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O4S/c1-2-10(21)18-8-3-5-9(6-4-8)25(22,23)17-7-11-19-12(20-24-11)13(14,15)16/h3-6,17H,2,7H2,1H3,(H,18,21).
What are the key properties of N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide?
N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide has a molecular weight of 378.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 75454138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).