N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide

C18H17F3N2O2S — CID 46538000

IUPACN-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CNc1ccccc1SCC(F)(F)F
InChIInChI=1S/C18H17F3N2O2S/c1-12(24)13-6-2-3-7-14(13)23-17(25)10-22-15-8-4-5-9-16(15)26-11-18(19,20)21/h2-9,22H,10-11H2,1H3,(H,23,25)
InChIKeyXZAVUGMGKYKBPS-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.59
Rot. Bonds7

About N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide

N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide (PubChem CID 46538000) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
PubChem CID46538000
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CNc1ccccc1SCC(F)(F)F
InChIInChI=1S/C18H17F3N2O2S/c1-12(24)13-6-2-3-7-14(13)23-17(25)10-22-15-8-4-5-9-16(15)26-11-18(19,20)21/h2-9,22H,10-11H2,1H3,(H,23,25)
InChIKeyXZAVUGMGKYKBPS-UHFFFAOYSA-N
XLogP4.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetyl]amino]benzoate
CID 43048401
N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 78844370
N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538030
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
N-(2-acetylphenyl)-2-[2-[(1S)-1-hydroxyethyl]anilino]acetamide
CID 95776980
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
N-(2-acetylphenyl)-2-[2-chloro-4-(trifluoromethyl)anilino]acetamide
CID 55444935
4-oxo-4-[2-(2,2,2-trifluoroethylsulfanyl)anilino]butanoic acid
CID 43579901
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43043214
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 46419999

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide (CID 46538000) is N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide is CC(=O)c1ccccc1NC(=O)CNc1ccccc1SCC(F)(F)F.
What is the InChIKey of N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The InChIKey is XZAVUGMGKYKBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-12(24)13-6-2-3-7-14(13)23-17(25)10-22-15-8-4-5-9-16(15)26-11-18(19,20)21/h2-9,22H,10-11H2,1H3,(H,23,25).
What are the key properties of N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide has a molecular weight of 382.41 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide is sourced from PubChem (CID 46538000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).