N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

C11H11F3N2O2S — CID 2998998

IUPACN-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(C(F)(F)F)c1)C(=O)NC(N)=O
InChIInChI=1S/C11H11F3N2O2S/c1-6(9(17)16-10(15)18)19-8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyWWTAROHLXYPJQB-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.38
Rot. Bonds3

About N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 2998998) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID2998998
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC NameN-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(C(F)(F)F)c1)C(=O)NC(N)=O
InChIInChI=1S/C11H11F3N2O2S/c1-6(9(17)16-10(15)18)19-8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyWWTAROHLXYPJQB-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 2998998) is N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is CC(Sc1cccc(C(F)(F)F)c1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is WWTAROHLXYPJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-6(9(17)16-10(15)18)19-8-4-2-3-7(5-8)11(12,13)14/h2-6H,1H3,(H3,15,16,17,18).
What are the key properties of N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 292.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 2998998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).