N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C11H11F3N2O2S — CID 2591984

IUPACN-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2S/c1-15-10(18)16-9(17)6-19-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H2,15,16,17,18)
InChIKeyZUGJIRUIZSIHMM-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.25
Rot. Bonds3

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

N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2591984) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2591984
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC NameN-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2S/c1-15-10(18)16-9(17)6-19-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H2,15,16,17,18)
InChIKeyZUGJIRUIZSIHMM-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591947
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591982
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591998
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2998998
4-[3-(Trifluoromethyl)phenyl]sulfanylazetidin-2-one
CID 118526787
2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2616407
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide
CID 8800446
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide
CID 47408792
N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
CID 47477226

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2591984) is N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is ZUGJIRUIZSIHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-15-10(18)16-9(17)6-19-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 292.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2591984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).