N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide

C17H16F3NOS — CID 24629694

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(SCCNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NOS/c1-12-6-8-13(9-7-12)23-11-10-21-16(22)14-4-2-3-5-15(14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyLXIHDQGZQXESDJ-UHFFFAOYSA-N
MW339.38 g/mol
LogP4.54
Rot. Bonds5

About N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide

N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide (PubChem CID 24629694) has the molecular formula C17H16F3NOS and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide
PubChem CID24629694
Molecular FormulaC17H16F3NOS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(SCCNC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NOS/c1-12-6-8-13(9-7-12)23-11-10-21-16(22)14-4-2-3-5-15(14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyLXIHDQGZQXESDJ-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55386908
2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9173698
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
N-[2-(oxan-4-ylsulfanyl)ethyl]-2-(trifluoromethyl)benzamide
CID 86265196
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide (CID 24629694) is N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide is Cc1ccc(SCCNC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is LXIHDQGZQXESDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NOS/c1-12-6-8-13(9-7-12)23-11-10-21-16(22)14-4-2-3-5-15(14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide?
N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 339.38 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 24629694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).