2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide

C32H34N2O4S — CID 21373137

IUPAC2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1ccc(CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C32H34N2O4S/c1-23-10-12-27(13-11-23)20-34(39(36,37)32-25(3)18-24(2)19-26(32)4)21-31(35)33-29-14-16-30(17-15-29)38-22-28-8-6-5-7-9-28/h5-19H,20-22H2,1-4H3,(H,33,35)
InChIKeyJLHIZSHXROOJKT-UHFFFAOYSA-N
MW542.70 g/mol
LogP6.33
Rot. Bonds10

About 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide

2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 21373137) has the molecular formula C32H34N2O4S and a molecular weight of 542.70 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID21373137
Molecular FormulaC32H34N2O4S
Molecular Weight542.70 g/mol
Exact Mass542.22
IUPAC Name2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1ccc(CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C32H34N2O4S/c1-23-10-12-27(13-11-23)20-34(39(36,37)32-25(3)18-24(2)19-26(32)4)21-31(35)33-29-14-16-30(17-15-29)38-22-28-8-6-5-7-9-28/h5-19H,20-22H2,1-4H3,(H,33,35)
InChIKeyJLHIZSHXROOJKT-UHFFFAOYSA-N
XLogP6.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.70
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126062120
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126069995
methyl 2-[[2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 21373146
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 126067641
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828
(4-methylphenyl)-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfamic acid
CID 174743808
2-[4-[[2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100795313
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide (CID 21373137) is 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide is Cc1ccc(CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is JLHIZSHXROOJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4S/c1-23-10-12-27(13-11-23)20-34(39(36,37)32-25(3)18-24(2)19-26(32)4)21-31(35)33-29-14-16-30(17-15-29)38-22-28-8-6-5-7-9-28/h5-19H,20-22H2,1-4H3,(H,33,35).
What are the key properties of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 542.70 g/mol, XLogP of 6.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 21373137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).