2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide

C14H14F3N3O4S — CID 122539812

IUPAC2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
SMILESCCc1c(C(=O)Nc2nnc(C)o2)ccc(C(F)(F)F)c1S(C)(=O)=O
InChIInChI=1S/C14H14F3N3O4S/c1-4-8-9(12(21)18-13-20-19-7(2)24-13)5-6-10(14(15,16)17)11(8)25(3,22)23/h5-6H,4H2,1-3H3,(H,18,20,21)
InChIKeyCWUYBHFMNXQJGP-UHFFFAOYSA-N
MW377.34 g/mol
LogP2.62
Rot. Bonds4

About 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide

2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide (PubChem CID 122539812) has the molecular formula C14H14F3N3O4S and a molecular weight of 377.34 g/mol. Its IUPAC name is 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
PubChem CID122539812
Molecular FormulaC14H14F3N3O4S
Molecular Weight377.34 g/mol
Exact Mass377.07
IUPAC Name2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
SMILESCCc1c(C(=O)Nc2nnc(C)o2)ccc(C(F)(F)F)c1S(C)(=O)=O
InChIInChI=1S/C14H14F3N3O4S/c1-4-8-9(12(21)18-13-20-19-7(2)24-13)5-6-10(14(15,16)17)11(8)25(3,22)23/h5-6H,4H2,1-3H3,(H,18,20,21)
InChIKeyCWUYBHFMNXQJGP-UHFFFAOYSA-N
XLogP2.62
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide 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 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide (CID 122539812) is 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide is CCc1c(C(=O)Nc2nnc(C)o2)ccc(C(F)(F)F)c1S(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The InChIKey is CWUYBHFMNXQJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4S/c1-4-8-9(12(21)18-13-20-19-7(2)24-13)5-6-10(14(15,16)17)11(8)25(3,22)23/h5-6H,4H2,1-3H3,(H,18,20,21).
What are the key properties of 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide has a molecular weight of 377.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122539812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).