2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C18H19F3N2O3S — CID 21373045

IUPAC2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-27(25,26)23(12-11-14-5-3-2-4-6-14)13-17(24)22-16-9-7-15(8-10-16)18(19,20)21/h2-10H,11-13H2,1H3,(H,22,24)
InChIKeyBEHDWAGJQORCEZ-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.15
Rot. Bonds7

About 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 21373045) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID21373045
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-27(25,26)23(12-11-14-5-3-2-4-6-14)13-17(24)22-16-9-7-15(8-10-16)18(19,20)21/h2-10H,11-13H2,1H3,(H,22,24)
InChIKeyBEHDWAGJQORCEZ-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100515151
N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15991423
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113150198

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 21373045) is 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BEHDWAGJQORCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-27(25,26)23(12-11-14-5-3-2-4-6-14)13-17(24)22-16-9-7-15(8-10-16)18(19,20)21/h2-10H,11-13H2,1H3,(H,22,24).
What are the key properties of 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 400.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 21373045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).