2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide

C21H30N4O3S — CID 9106574

IUPAC2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C21H30N4O3S/c1-6-16-10-8-9-15(3)21(16)24-20(26)14-23-19-13-17(29(27,28)25(4)5)11-12-18(19)22-7-2/h8-13,22-23H,6-7,14H2,1-5H3,(H,24,26)
InChIKeyVMGMZAMAPFJJJL-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.29
Rot. Bonds9

About 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 9106574) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID9106574
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C21H30N4O3S/c1-6-16-10-8-9-15(3)21(16)24-20(26)14-23-19-13-17(29(27,28)25(4)5)11-12-18(19)22-7-2/h8-13,22-23H,6-7,14H2,1-5H3,(H,24,26)
InChIKeyVMGMZAMAPFJJJL-UHFFFAOYSA-N
XLogP3.29
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-phenoxyphenyl)acetamide
CID 4884363
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884054
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
CID 51160031
2-[5-(diethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 24510897
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
1-(2,6-diethylphenyl)-3-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioylamino]thiourea
CID 3562315
2-(4-chloro-2-methyl-3-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 22307577

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 9106574) is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1c(C)cccc1CC.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is VMGMZAMAPFJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-6-16-10-8-9-15(3)21(16)24-20(26)14-23-19-13-17(29(27,28)25(4)5)11-12-18(19)22-7-2/h8-13,22-23H,6-7,14H2,1-5H3,(H,24,26).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 418.56 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 9106574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).