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

C13H15F3N2O2S — CID 2591950

IUPACN-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(C)NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c1-8(2)17-12(20)18-11(19)7-21-10-5-3-4-9(6-10)13(14,15)16/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20)
InChIKeyQVQSQQDPLIZECD-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.03
Rot. Bonds4

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

N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2591950) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2591950
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC NameN-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(C)NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c1-8(2)17-12(20)18-11(19)7-21-10-5-3-4-9(6-10)13(14,15)16/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20)
InChIKeyQVQSQQDPLIZECD-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17444667
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-[(1S)-1-(1-adamantyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484677
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 2504258
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484907
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]propan-2-amine
CID 60683062
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43242280

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2591950) is N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CC(C)NC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is QVQSQQDPLIZECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-8(2)17-12(20)18-11(19)7-21-10-5-3-4-9(6-10)13(14,15)16/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 320.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2591950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).