N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C17H15F3N2O2S — CID 7484943

IUPACN-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3N2O2S/c1-11(23)21-13-5-7-14(8-6-13)22-16(24)10-25-15-4-2-3-12(9-15)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKHEAWCQAYFQMBR-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.39
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 7484943) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID7484943
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC NameN-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H15F3N2O2S/c1-11(23)21-13-5-7-14(8-6-13)22-16(24)10-25-15-4-2-3-12(9-15)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKHEAWCQAYFQMBR-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 19712457
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17432681
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484907
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4846392
2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2193020
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 7484943) is N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is KHEAWCQAYFQMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c1-11(23)21-13-5-7-14(8-6-13)22-16(24)10-25-15-4-2-3-12(9-15)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 368.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 7484943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).