N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide

C17H16F3NO2S — CID 1232472

IUPACN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1SC
InChIInChI=1S/C17H16F3NO2S/c1-3-23-14-9-8-11(17(18,19)20)10-13(14)21-16(22)12-6-4-5-7-15(12)24-2/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyNEXBAOPHFWGWTK-UHFFFAOYSA-N
MW355.38 g/mol
LogP5.08
Rot. Bonds5

About N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide (PubChem CID 1232472) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
PubChem CID1232472
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1SC
InChIInChI=1S/C17H16F3NO2S/c1-3-23-14-9-8-11(17(18,19)20)10-13(14)21-16(22)12-6-4-5-7-15(12)24-2/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyNEXBAOPHFWGWTK-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034362
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532465
4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 38905531
N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 47898138
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide (CID 1232472) is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1SC.
What is the InChIKey of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide?
The InChIKey is NEXBAOPHFWGWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-3-23-14-9-8-11(17(18,19)20)10-13(14)21-16(22)12-6-4-5-7-15(12)24-2/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide?
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide has a molecular weight of 355.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 1232472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).