N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide

C19H23N3O4S — CID 112996377

IUPACN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1
InChIInChI=1S/C19H23N3O4S/c1-13-5-10-17(14(2)11-13)21-18(23)12-20-19(24)15-6-8-16(9-7-15)27(25,26)22(3)4/h5-11H,12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyUITYVGJHWDDSPJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.92
Rot. Bonds6

About N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide

N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 112996377) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID112996377
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1
InChIInChI=1S/C19H23N3O4S/c1-13-5-10-17(14(2)11-13)21-18(23)12-20-19(24)15-6-8-16(9-7-15)27(25,26)22(3)4/h5-11H,12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyUITYVGJHWDDSPJ-UHFFFAOYSA-N
XLogP1.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51345359
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
N-(2,4-dimethylphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3955899
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787996
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26313001
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
CID 6503076
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976443
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide (CID 112996377) is N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide is Cc1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is UITYVGJHWDDSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-5-10-17(14(2)11-13)21-18(23)12-20-19(24)15-6-8-16(9-7-15)27(25,26)22(3)4/h5-11H,12H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 112996377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).