2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide

C26H28Cl2N2O5S — CID 21373490

IUPAC2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C26H28Cl2N2O5S/c1-16-10-17(2)26(18(3)11-16)36(32,33)30(14-19-6-8-21(27)22(28)12-19)15-25(31)29-23-13-20(34-4)7-9-24(23)35-5/h6-13H,14-15H2,1-5H3,(H,29,31)
InChIKeyOYGDRTAJSNDOCQ-UHFFFAOYSA-N
MW551.49 g/mol
LogP5.77
Rot. Bonds9

About 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide

2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 21373490) has the molecular formula C26H28Cl2N2O5S and a molecular weight of 551.49 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID21373490
Molecular FormulaC26H28Cl2N2O5S
Molecular Weight551.49 g/mol
Exact Mass550.11
IUPAC Name2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C26H28Cl2N2O5S/c1-16-10-17(2)26(18(3)11-16)36(32,33)30(14-19-6-8-21(27)22(28)12-19)15-25(31)29-23-13-20(34-4)7-9-24(23)35-5/h6-13H,14-15H2,1-5H3,(H,29,31)
InChIKeyOYGDRTAJSNDOCQ-UHFFFAOYSA-N
XLogP5.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126204295
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 126063500
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 1341129
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126009467
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 126378298
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 126083250
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 126203271
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide
CID 21373534
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 126375533
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 100514614
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 1362081
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126372670

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide (CID 21373490) is 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is OYGDRTAJSNDOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O5S/c1-16-10-17(2)26(18(3)11-16)36(32,33)30(14-19-6-8-21(27)22(28)12-19)15-25(31)29-23-13-20(34-4)7-9-24(23)35-5/h6-13H,14-15H2,1-5H3,(H,29,31).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 551.49 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 21373490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).