N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

C18H22FN3O3S — CID 53283214

IUPACN-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22FN3O3S/c1-13-5-6-14(2)17(11-13)20-18(23)12-22(26(24,25)21(3)4)16-9-7-15(19)8-10-16/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeySKFTYWRYBYGUTR-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.69
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (PubChem CID 53283214) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
PubChem CID53283214
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22FN3O3S/c1-13-5-6-14(2)17(11-13)20-18(23)12-22(26(24,25)21(3)4)16-9-7-15(19)8-10-16/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeySKFTYWRYBYGUTR-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92663731
N-(2,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282036
N-(2,5-dimethylphenyl)-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 53280294
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994
N-(3,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283271
4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30258311
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92664037
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (CID 53283214) is N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is Cc1ccc(C)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The InChIKey is SKFTYWRYBYGUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-13-5-6-14(2)17(11-13)20-18(23)12-22(26(24,25)21(3)4)16-9-7-15(19)8-10-16/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is sourced from PubChem (CID 53283214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).