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

C18H18F3NO3S — CID 51946875

IUPAC(2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3NO3S/c1-13(17(23)22(2)15-9-4-3-5-10-15)26(24,25)12-14-8-6-7-11-16(14)18(19,20)21/h3-11,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyZQJKBMOZLBSDLR-ZDUSSCGKSA-N
MW385.41 g/mol
LogP3.67
Rot. Bonds5

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

(2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide (PubChem CID 51946875) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
PubChem CID51946875
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name(2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
SMILESC[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3NO3S/c1-13(17(23)22(2)15-9-4-3-5-10-15)26(24,25)12-14-8-6-7-11-16(14)18(19,20)21/h3-11,13H,12H2,1-2H3/t13-/m0/s1
InChIKeyZQJKBMOZLBSDLR-ZDUSSCGKSA-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

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Related Compounds

N-methyl-N-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 42961420
N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide
CID 59650840
[2-(trifluoromethyl)phenyl]methanesulfonic acid
CID 86065127
2-[[2-(trifluoromethyl)phenyl]methylsulfamoyl]propanoic acid
CID 62881645
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946927
2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881
N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 120999709
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 24664974
2-methyl-N-phenyl-N-(trifluoromethyl)propanamide
CID 56944922

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The IUPAC name of (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide (CID 51946875) is (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide.
What is the SMILES notation for (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The canonical SMILES for (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide is C[C@@H](C(=O)N(C)c1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
The InChIKey is ZQJKBMOZLBSDLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-13(17(23)22(2)15-9-4-3-5-10-15)26(24,25)12-14-8-6-7-11-16(14)18(19,20)21/h3-11,13H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide?
(2S)-N-methyl-N-phenyl-2-[[2-(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 (2S)-N-methyl-N-phenyl-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide is sourced from PubChem (CID 51946875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).