2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

C25H25F3N2O3S — CID 27036482

IUPAC2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc2)c(C)c1
InChIInChI=1S/C25H25F3N2O3S/c1-17-12-18(2)24(19(3)13-17)34(32,33)30(15-20-8-5-4-6-9-20)16-23(31)29-22-11-7-10-21(14-22)25(26,27)28/h4-14H,15-16H2,1-3H3,(H,29,31)
InChIKeyHIXARTRORCUARC-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.46
Rot. Bonds7

About 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 27036482) has the molecular formula C25H25F3N2O3S and a molecular weight of 490.55 g/mol. Its IUPAC name is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID27036482
Molecular FormulaC25H25F3N2O3S
Molecular Weight490.55 g/mol
Exact Mass490.15
IUPAC Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc2)c(C)c1
InChIInChI=1S/C25H25F3N2O3S/c1-17-12-18(2)24(19(3)13-17)34(32,33)30(15-20-8-5-4-6-9-20)16-23(31)29-22-11-7-10-21(14-22)25(26,27)28/h4-14H,15-16H2,1-3H3,(H,29,31)
InChIKeyHIXARTRORCUARC-UHFFFAOYSA-N
XLogP5.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(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-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126072956
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 126067641
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 29431037
N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371728
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 2108598
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 100781494

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 27036482) is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc2)c(C)c1.
What is the InChIKey of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HIXARTRORCUARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3S/c1-17-12-18(2)24(19(3)13-17)34(32,33)30(15-20-8-5-4-6-9-20)16-23(31)29-22-11-7-10-21(14-22)25(26,27)28/h4-14H,15-16H2,1-3H3,(H,29,31).
What are the key properties of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 490.55 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 27036482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).