(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

C21H25F3N2O3S — CID 55940569

IUPAC(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C21H25F3N2O3S/c1-13-11-14(2)17(15(3)12-13)9-10-25-20(27)16(4)26-30(28,29)19-8-6-5-7-18(19)21(22,23)24/h5-8,11-12,16,26H,9-10H2,1-4H3,(H,25,27)/t16-/m0/s1
InChIKeyNVQGPHLZUHWTON-INIZCTEOSA-N
MW442.50 g/mol
LogP3.66
Rot. Bonds7

About (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (PubChem CID 55940569) has the molecular formula C21H25F3N2O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
PubChem CID55940569
Molecular FormulaC21H25F3N2O3S
Molecular Weight442.50 g/mol
Exact Mass442.15
IUPAC Name(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C21H25F3N2O3S/c1-13-11-14(2)17(15(3)12-13)9-10-25-20(27)16(4)26-30(28,29)19-8-6-5-7-18(19)21(22,23)24/h5-8,11-12,16,26H,9-10H2,1-4H3,(H,25,27)/t16-/m0/s1
InChIKeyNVQGPHLZUHWTON-INIZCTEOSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55936282
(2S)-N-[2-(4-fluorophenoxy)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37361314
N-[(2S)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 30132868
(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55940266
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37210962
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55953589
(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 35026880
N-naphthalen-2-yl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 166190909
2-[(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2841182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (CID 55940569) is (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1.
What is the InChIKey of (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The InChIKey is NVQGPHLZUHWTON-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25F3N2O3S/c1-13-11-14(2)17(15(3)12-13)9-10-25-20(27)16(4)26-30(28,29)19-8-6-5-7-18(19)21(22,23)24/h5-8,11-12,16,26H,9-10H2,1-4H3,(H,25,27)/t16-/m0/s1.
What are the key properties of (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide has a molecular weight of 442.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 55940569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).