N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C19H20F3NOS — CID 7484907

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3NOS/c1-12(2)16-9-4-6-13(3)18(16)23-17(24)11-25-15-8-5-7-14(10-15)19(20,21)22/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyLLXSLAJLGZKBAF-UHFFFAOYSA-N
MW367.44 g/mol
LogP5.87
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 7484907) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID7484907
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3NOS/c1-12(2)16-9-4-6-13(3)18(16)23-17(24)11-25-15-8-5-7-14(10-15)19(20,21)22/h4-10,12H,11H2,1-3H3,(H,23,24)
InChIKeyLLXSLAJLGZKBAF-UHFFFAOYSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 28633130
2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2591845
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9046159
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
(2R)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]butanoic acid
CID 119368167
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2338112
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17444667

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 7484907) is N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is Cc1cccc(C(C)C)c1NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is LLXSLAJLGZKBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NOS/c1-12(2)16-9-4-6-13(3)18(16)23-17(24)11-25-15-8-5-7-14(10-15)19(20,21)22/h4-10,12H,11H2,1-3H3,(H,23,24).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 367.44 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 7484907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).