N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

C14H14F3N3O5S2 — CID 139843465

IUPACN-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCCSc1cccc(OC(F)(F)F)c1S(=O)(=O)NC(=O)Cc1noc(C)n1
InChIInChI=1S/C14H14F3N3O5S2/c1-3-26-10-6-4-5-9(24-14(15,16)17)13(10)27(22,23)20-12(21)7-11-18-8(2)25-19-11/h4-6H,3,7H2,1-2H3,(H,20,21)
InChIKeyXAMWECLAQUDCHV-UHFFFAOYSA-N
MW425.41 g/mol
LogP2.44
Rot. Bonds7

About N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide

N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 139843465) has the molecular formula C14H14F3N3O5S2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID139843465
Molecular FormulaC14H14F3N3O5S2
Molecular Weight425.41 g/mol
Exact Mass425.03
IUPAC NameN-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCCSc1cccc(OC(F)(F)F)c1S(=O)(=O)NC(=O)Cc1noc(C)n1
InChIInChI=1S/C14H14F3N3O5S2/c1-3-26-10-6-4-5-9(24-14(15,16)17)13(10)27(22,23)20-12(21)7-11-18-8(2)25-19-11/h4-6H,3,7H2,1-2H3,(H,20,21)
InChIKeyXAMWECLAQUDCHV-UHFFFAOYSA-N
XLogP2.44
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide (CID 139843465) is N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is CCSc1cccc(OC(F)(F)F)c1S(=O)(=O)NC(=O)Cc1noc(C)n1.
What is the InChIKey of N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is XAMWECLAQUDCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O5S2/c1-3-26-10-6-4-5-9(24-14(15,16)17)13(10)27(22,23)20-12(21)7-11-18-8(2)25-19-11/h4-6H,3,7H2,1-2H3,(H,20,21).
What are the key properties of N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide?
N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 425.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 139843465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).