2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide

C25H26ClFN2O3S — CID 28546581

IUPAC2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C25H26ClFN2O3S/c1-17-12-18(2)25(19(3)13-17)33(31,32)29(15-21-4-8-22(26)9-5-21)16-24(30)28-14-20-6-10-23(27)11-7-20/h4-13H,14-16H2,1-3H3,(H,28,30)
InChIKeyYDRFYTVFJSWMHO-UHFFFAOYSA-N
MW489.01 g/mol
LogP4.91
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 28546581) has the molecular formula C25H26ClFN2O3S and a molecular weight of 489.01 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID28546581
Molecular FormulaC25H26ClFN2O3S
Molecular Weight489.01 g/mol
Exact Mass488.13
IUPAC Name2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C25H26ClFN2O3S/c1-17-12-18(2)25(19(3)13-17)33(31,32)29(15-21-4-8-22(26)9-5-21)16-24(30)28-14-20-6-10-23(27)11-7-20/h4-13H,14-16H2,1-3H3,(H,28,30)
InChIKeyYDRFYTVFJSWMHO-UHFFFAOYSA-N
XLogP4.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.01
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]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-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100795291
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 4105507
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 5044769
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546584
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561338
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)acetamide
CID 4185982
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874562
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide
CID 5177354
2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937660
2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100795313

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 28546581) is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YDRFYTVFJSWMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O3S/c1-17-12-18(2)25(19(3)13-17)33(31,32)29(15-21-4-8-22(26)9-5-21)16-24(30)28-14-20-6-10-23(27)11-7-20/h4-13H,14-16H2,1-3H3,(H,28,30).
What are the key properties of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 489.01 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 28546581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).