N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide

C21H17F3N2O2S — CID 1323229

IUPACN-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H17F3N2O2S/c22-21(23,24)17-7-3-4-8-18(17)26-20(28)13-29-12-19(27)25-16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,25,27)(H,26,28)
InChIKeySKQCRFAUVYRGJV-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.17
Rot. Bonds6

About N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide

N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide (PubChem CID 1323229) has the molecular formula C21H17F3N2O2S and a molecular weight of 418.44 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide
PubChem CID1323229
Molecular FormulaC21H17F3N2O2S
Molecular Weight418.44 g/mol
Exact Mass418.10
IUPAC NameN-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H17F3N2O2S/c22-21(23,24)17-7-3-4-8-18(17)26-20(28)13-29-12-19(27)25-16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,25,27)(H,26,28)
InChIKeySKQCRFAUVYRGJV-UHFFFAOYSA-N
XLogP5.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thionalide
CID 66733
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ST032473
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N-naphthalen-2-yl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
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2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
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N-2-biphenylyl-2-[(2-methylbenzyl)thio]acetamide
CID 893736
2-[[2-(3,4-Dimethylanilino)-2-oxoethyl]thio]acetamide
CID 1249855
3,3'-thiobis[N-(3,4-dimethylphenyl)propanamide]
CID 2165573
N-(2-Fluoro-phenyl)-N'-naphthalen-1-yl-oxalamide
CID 3220617

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide?
The IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide (CID 1323229) is N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide?
The InChIKey is SKQCRFAUVYRGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2S/c22-21(23,24)17-7-3-4-8-18(17)26-20(28)13-29-12-19(27)25-16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,25,27)(H,26,28).
What are the key properties of N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide?
N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide has a molecular weight of 418.44 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetamide is sourced from PubChem (CID 1323229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).