(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide

C13H16F3NO3S — CID 94477575

IUPAC(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C13H16F3NO3S/c1-9(21(2,19)20)12(18)17-8-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyCXXFTWQLWLMWEB-SECBINFHSA-N
MW323.34 g/mol
LogP1.80
Rot. Bonds5

About (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide

(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 94477575) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID94477575
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C13H16F3NO3S/c1-9(21(2,19)20)12(18)17-8-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyCXXFTWQLWLMWEB-SECBINFHSA-N
XLogP1.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
2-[[2-(trifluoromethyl)phenyl]methylsulfamoyl]propanoic acid
CID 62881645
1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 11624959
2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975402
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
(2R)-2-methylsulfonyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124850587
(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95288333
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
1-[2-[2-(trifluoromethyl)phenyl]ethyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 166236084
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide (CID 94477575) is (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide is C[C@H](C(=O)NCCc1ccccc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is CXXFTWQLWLMWEB-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c1-9(21(2,19)20)12(18)17-8-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide?
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 323.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 94477575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).