N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide

C18H18F3NO3S — CID 42961420

IUPACN-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
SMILESCC(C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO3S/c1-13(17(23)22(2)16-9-4-3-5-10-16)26(24,25)12-14-7-6-8-15(11-14)18(19,20)21/h3-11,13H,12H2,1-2H3
InChIKeyDGTRDIJDHMVXKE-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.67
Rot. Bonds5

About N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide

N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide (PubChem CID 42961420) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
PubChem CID42961420
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC NameN-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
SMILESCC(C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO3S/c1-13(17(23)22(2)16-9-4-3-5-10-16)26(24,25)12-14-7-6-8-15(11-14)18(19,20)21/h3-11,13H,12H2,1-2H3
InChIKeyDGTRDIJDHMVXKE-UHFFFAOYSA-N
XLogP3.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]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

(2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 51946875
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetate
CID 19837767
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132664482
[3-(trifluoromethyl)phenyl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510899
(2R)-2-[benzenesulfonyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 125045170
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide
CID 59650840
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2273018
N-benzylsulfonyl-2-methyl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 175880971
N-[2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetyl]propanamide
CID 15118329
2-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethyl]-1,3,4-oxadiazole
CID 47069271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The IUPAC name of N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide (CID 42961420) is N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The canonical SMILES for N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide is CC(C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The InChIKey is DGTRDIJDHMVXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-13(17(23)22(2)16-9-4-3-5-10-16)26(24,25)12-14-7-6-8-15(11-14)18(19,20)21/h3-11,13H,12H2,1-2H3.
What are the key properties of N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide has a molecular weight of 385.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide is sourced from PubChem (CID 42961420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).