2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C18H19F3N2O3S — CID 100515151

IUPAC2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-13-3-5-14(6-4-13)11-23(27(2,25)26)12-17(24)22-16-9-7-15(8-10-16)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeySGQSIXUZRNVLFA-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.41
Rot. Bonds6

About 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 100515151) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID100515151
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-13-3-5-14(6-4-13)11-23(27(2,25)26)12-17(24)22-16-9-7-15(8-10-16)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeySGQSIXUZRNVLFA-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide 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

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 21373045
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126095136
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 113151047
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 100515151) is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1ccc(CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SGQSIXUZRNVLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-13-3-5-14(6-4-13)11-23(27(2,25)26)12-17(24)22-16-9-7-15(8-10-16)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 400.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 100515151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).