2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide

C24H25NO4S — CID 19218121

IUPAC2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(N(C(=O)COc2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO4S/c1-17-5-10-21(11-6-17)25(30(27,28)22-12-7-18(2)8-13-22)24(26)16-29-23-14-9-19(3)15-20(23)4/h5-15H,16H2,1-4H3
InChIKeyWQVTUYNEMUITEO-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.72
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 19218121) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID19218121
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(N(C(=O)COc2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO4S/c1-17-5-10-21(11-6-17)25(30(27,28)22-12-7-18(2)8-13-22)24(26)16-29-23-14-9-19(3)15-20(23)4/h5-15H,16H2,1-4H3
InChIKeyWQVTUYNEMUITEO-UHFFFAOYSA-N
XLogP4.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)sulfonyl-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19218128
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
4-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218975
4-(2,4-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218973
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219911
2-(4-bromo-2-ethylphenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219771

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide (CID 19218121) is 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(N(C(=O)COc2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is WQVTUYNEMUITEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-17-5-10-21(11-6-17)25(30(27,28)22-12-7-18(2)8-13-22)24(26)16-29-23-14-9-19(3)15-20(23)4/h5-15H,16H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 423.53 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 19218121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).