2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide

C25H28N2O4S — CID 126063500

IUPAC2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H28N2O4S/c1-18-14-19(2)25(20(3)15-18)32(29,30)27(16-21-10-6-5-7-11-21)17-24(28)26-22-12-8-9-13-23(22)31-4/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyIPDVICKDQZZLJT-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.45
Rot. Bonds8

About 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide

2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 126063500) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID126063500
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H28N2O4S/c1-18-14-19(2)25(20(3)15-18)32(29,30)27(16-21-10-6-5-7-11-21)17-24(28)26-22-12-8-9-13-23(22)31-4/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyIPDVICKDQZZLJT-UHFFFAOYSA-N
XLogP4.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)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-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 126067641
methyl 2-[[2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 21373146
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781983
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 126155696
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 29431037
N-(2,3-dimethylphenyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371925
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 5044769
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 21373490
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 1341129
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide (CID 126063500) is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is IPDVICKDQZZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18-14-19(2)25(20(3)15-18)32(29,30)27(16-21-10-6-5-7-11-21)17-24(28)26-22-12-8-9-13-23(22)31-4/h5-15H,16-17H2,1-4H3,(H,26,28).
What are the key properties of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide?
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 126063500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).