2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide

C24H27N3O4S — CID 92663800

IUPAC2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C24H27N3O4S/c1-18-10-11-19(2)23(16-18)27(32(29,30)26(3)4)17-24(28)25-20-12-14-22(15-13-20)31-21-8-6-5-7-9-21/h5-16H,17H2,1-4H3,(H,25,28)
InChIKeySVMLQBZNPPFQMU-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.35
Rot. Bonds8

About 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 92663800) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide
PubChem CID92663800
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C24H27N3O4S/c1-18-10-11-19(2)23(16-18)27(32(29,30)26(3)4)17-24(28)25-20-12-14-22(15-13-20)31-21-8-6-5-7-9-21/h5-16H,17H2,1-4H3,(H,25,28)
InChIKeySVMLQBZNPPFQMU-UHFFFAOYSA-N
XLogP4.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 53282064
N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 92663794
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
methyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]benzoate
CID 92663899
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylphenyl)acetamide
CID 30173912
N-(4-phenoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260344
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 18891020
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1100045
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30390844
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30390850
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide (CID 92663800) is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide is Cc1ccc(C)c(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is SVMLQBZNPPFQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-18-10-11-19(2)23(16-18)27(32(29,30)26(3)4)17-24(28)25-20-12-14-22(15-13-20)31-21-8-6-5-7-9-21/h5-16H,17H2,1-4H3,(H,25,28).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide?
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 453.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 92663800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).