N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C18H18F3NOS — CID 7965138

IUPACN-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(C)c1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NOS/c1-12(2)15-8-3-4-9-16(15)22-17(23)11-24-14-7-5-6-13(10-14)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyBDWRBCRBRSMWEJ-UHFFFAOYSA-N
MW353.41 g/mol
LogP5.56
Rot. Bonds5

About N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 7965138) has the molecular formula C18H18F3NOS and a molecular weight of 353.41 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID7965138
Molecular FormulaC18H18F3NOS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC NameN-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(C)c1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NOS/c1-12(2)15-8-3-4-9-16(15)22-17(23)11-24-14-7-5-6-13(10-14)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyBDWRBCRBRSMWEJ-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484907
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate
CID 7506590
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
(2R)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]butanoic acid
CID 119368167
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2347853

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 7965138) is N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CC(C)c1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is BDWRBCRBRSMWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NOS/c1-12(2)15-8-3-4-9-16(15)22-17(23)11-24-14-7-5-6-13(10-14)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 353.41 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 7965138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).