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

C24H25Cl2N3O3S — CID 21373434

IUPAC2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C24H25Cl2N3O3S/c1-16-10-17(2)24(18(3)11-16)33(31,32)29(14-19-7-8-21(25)22(26)12-19)15-23(30)28-13-20-6-4-5-9-27-20/h4-12H,13-15H2,1-3H3,(H,28,30)
InChIKeyTTXDBWXXVQSPSZ-UHFFFAOYSA-N
MW506.46 g/mol
LogP4.82
Rot. Bonds8

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

2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 21373434) has the molecular formula C24H25Cl2N3O3S and a molecular weight of 506.46 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID21373434
Molecular FormulaC24H25Cl2N3O3S
Molecular Weight506.46 g/mol
Exact Mass505.10
IUPAC Name2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C24H25Cl2N3O3S/c1-16-10-17(2)24(18(3)11-16)33(31,32)29(14-19-7-8-21(25)22(26)12-19)15-23(30)28-13-20-6-4-5-9-27-20/h4-12H,13-15H2,1-3H3,(H,28,30)
InChIKeyTTXDBWXXVQSPSZ-UHFFFAOYSA-N
XLogP4.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 21373432
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-pentylacetamide
CID 21373534
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100795291
2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189250
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 1276547
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28546581
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 126375533
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
CID 29431037
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874562
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 21373490
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144323

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 21373434) is 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is TTXDBWXXVQSPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3S/c1-16-10-17(2)24(18(3)11-16)33(31,32)29(14-19-7-8-21(25)22(26)12-19)15-23(30)28-13-20-6-4-5-9-27-20/h4-12H,13-15H2,1-3H3,(H,28,30).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 506.46 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 21373434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).