N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide

C25H28N2O4S — CID 22304114

IUPACN-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCCOc1ccc(NCC(=O)Nc2c(C)cccc2C)c(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-5-31-20-11-14-22(23(15-20)32(29,30)21-12-9-17(2)10-13-21)26-16-24(28)27-25-18(3)7-6-8-19(25)4/h6-15,26H,5,16H2,1-4H3,(H,27,28)
InChIKeyDEIFKOPDJTWDFK-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.89
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide

N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide (PubChem CID 22304114) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide
PubChem CID22304114
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCCOc1ccc(NCC(=O)Nc2c(C)cccc2C)c(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-5-31-20-11-14-22(23(15-20)32(29,30)21-12-9-17(2)10-13-21)26-16-24(28)27-25-18(3)7-6-8-19(25)4/h6-15,26H,5,16H2,1-4H3,(H,27,28)
InChIKeyDEIFKOPDJTWDFK-UHFFFAOYSA-N
XLogP4.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22306767
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
ethyl 4-[[2-[2-(4-ethoxyphenyl)sulfonylanilino]acetyl]amino]benzoate
CID 22304964
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304310
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331
methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005
2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]-N-prop-2-enylacetamide
CID 22304312
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-[4-ethoxy-2-(4-methylsulfanylphenyl)sulfonylanilino]acetamide
CID 22305055
2-(4-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008142
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
N-(2,6-dimethylphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095191

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide (CID 22304114) is N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide is CCOc1ccc(NCC(=O)Nc2c(C)cccc2C)c(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide?
The InChIKey is DEIFKOPDJTWDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-31-20-11-14-22(23(15-20)32(29,30)21-12-9-17(2)10-13-21)26-16-24(28)27-25-18(3)7-6-8-19(25)4/h6-15,26H,5,16H2,1-4H3,(H,27,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide?
N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 22304114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).