2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide

C14H19F3N2O3S — CID 113070881

IUPAC2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCC(C)C(=O)NCCN(c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O3S/c1-10(2)13(20)18-8-9-19(23(3,21)22)12-7-5-4-6-11(12)14(15,16)17/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyUDCFNFOSJOABBG-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide

2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 113070881) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID113070881
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC Name2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCC(C)C(=O)NCCN(c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O3S/c1-10(2)13(20)18-8-9-19(23(3,21)22)12-7-5-4-6-11(12)14(15,16)17/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyUDCFNFOSJOABBG-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]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

tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 113070892
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
N-butyl-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155453
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
CID 113145210
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide (CID 113070881) is 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide is CC(C)C(=O)NCCN(c1ccccc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is UDCFNFOSJOABBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-10(2)13(20)18-8-9-19(23(3,21)22)12-7-5-4-6-11(12)14(15,16)17/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide?
2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 352.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 113070881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).