2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide

C17H12F3NO2S — CID 68750737

IUPAC2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide
SMILESCc1cc(C(N)=O)c(-c2cc3ccccc3s2)cc1OC(F)(F)F
InChIInChI=1S/C17H12F3NO2S/c1-9-6-12(16(21)22)11(8-13(9)23-17(18,19)20)15-7-10-4-2-3-5-14(10)24-15/h2-8H,1H3,(H2,21,22)
InChIKeyDJCRGQDFVWKZOE-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.87
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide

2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide (PubChem CID 68750737) has the molecular formula C17H12F3NO2S and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide
PubChem CID68750737
Molecular FormulaC17H12F3NO2S
Molecular Weight351.35 g/mol
Exact Mass351.05
IUPAC Name2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide
SMILESCc1cc(C(N)=O)c(-c2cc3ccccc3s2)cc1OC(F)(F)F
InChIInChI=1S/C17H12F3NO2S/c1-9-6-12(16(21)22)11(8-13(9)23-17(18,19)20)15-7-10-4-2-3-5-14(10)24-15/h2-8H,1H3,(H2,21,22)
InChIKeyDJCRGQDFVWKZOE-UHFFFAOYSA-N
XLogP4.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-[[2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)phenyl]methylsulfamoyl]piperidine-4-carboxylate
CID 67426173
ethyl 3-oxothioxanthene-1-carboxylate
CID 141217034
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(2-methoxyphenyl)-1-benzothiophene
CID 4137516
6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
CID 53229427
(2-carbamoylphenyl) 1-benzothiophene-2-carboxylate
CID 139568447
1-[2-bromo-5-methyl-4-(trifluoromethoxy)phenyl]ethanone
CID 171000680
methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate
CID 3265084
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 43034383
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
4-sulfanyl-2-(trifluoromethoxy)benzamide
CID 170999331

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide (CID 68750737) is 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide is Cc1cc(C(N)=O)c(-c2cc3ccccc3s2)cc1OC(F)(F)F.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide?
The InChIKey is DJCRGQDFVWKZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2S/c1-9-6-12(16(21)22)11(8-13(9)23-17(18,19)20)15-7-10-4-2-3-5-14(10)24-15/h2-8H,1H3,(H2,21,22).
What are the key properties of 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide?
2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide has a molecular weight of 351.35 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-methyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 68750737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).