N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

C7H12F3NO3S — CID 78883489

IUPACN-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(C)CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H12F3NO3S/c1-5(15(3,13)14)6(12)11(2)4-7(8,9)10/h5H,4H2,1-3H3
InChIKeyASEVSCYGEQBJFA-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.44
Rot. Bonds3

About N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide

N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78883489) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78883489
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC NameN-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(C)CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H12F3NO3S/c1-5(15(3,13)14)6(12)11(2)4-7(8,9)10/h5H,4H2,1-3H3
InChIKeyASEVSCYGEQBJFA-UHFFFAOYSA-N
XLogP0.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-2-(methylsulfinyl)ethylpropionic acid amide
CID 132101
4,4-Difluoro-1-[3-(methylsulfonyl)propanoyl]piperidine
CID 131909577
2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-(2-sulfanylidenepropyl)acetamide
CID 21303219
N-[2-(Methylsulfonyl)ethyl]-N-(cyanomethyl)trifluoroacetamide
CID 21303223
N-methyl-N-(3,3,3-trifluoro-1-methylsulfonylpropyl)acetamide
CID 25029677
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-fluoropropan-1-one
CID 118531086
2-[Methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethanesulfonic acid
CID 130266586
1-(3-Fluoroazetidin-1-yl)-2-methylsulfonylethanone
CID 130669195
2-[Methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethanesulfonate
CID 140799778
N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide
CID 155154965
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 49070293
N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide
CID 62732618

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78883489) is N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(C)CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ASEVSCYGEQBJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-5(15(3,13)14)6(12)11(2)4-7(8,9)10/h5H,4H2,1-3H3.
What are the key properties of N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide?
N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 247.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78883489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).