N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide

C16H13F3N2O2S — CID 55604501

IUPACN-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O2S/c1-10(22)20-11-6-8-12(9-7-11)21-15(23)13-4-2-3-5-14(13)24-16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyZTZLKTLFEGQAMQ-UHFFFAOYSA-N
MW354.35 g/mol
LogP4.51
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide

N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 55604501) has the molecular formula C16H13F3N2O2S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
PubChem CID55604501
Molecular FormulaC16H13F3N2O2S
Molecular Weight354.35 g/mol
Exact Mass354.06
IUPAC NameN-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O2S/c1-10(22)20-11-6-8-12(9-7-11)21-15(23)13-4-2-3-5-14(13)24-16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyZTZLKTLFEGQAMQ-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55608407
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55880032
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 39568217
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 60556371
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 56508199
N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 60810768
N-(2,5-dichlorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604341
N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 47026174
N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55800264
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide (CID 55604501) is N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide is CC(=O)Nc1ccc(NC(=O)c2ccccc2SC(F)(F)F)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is ZTZLKTLFEGQAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2S/c1-10(22)20-11-6-8-12(9-7-11)21-15(23)13-4-2-3-5-14(13)24-16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide?
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 354.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55604501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).