2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide

C17H18F3N3O3S — CID 15991423

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F3N3O3S/c1-22(2)27(25,26)23(15-6-4-3-5-7-15)12-16(24)21-14-10-8-13(9-11-14)17(18,19)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyYEPRQOVDHHCQKY-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.96
Rot. Bonds6

About 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 15991423) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID15991423
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F3N3O3S/c1-22(2)27(25,26)23(15-6-4-3-5-7-15)12-16(24)21-14-10-8-13(9-11-14)17(18,19)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyYEPRQOVDHHCQKY-UHFFFAOYSA-N
XLogP2.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 17201170
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46771829
2-[N-(dimethylsulfamoyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 3363391
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280050
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 28633023
N-tert-butyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 3963871
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126255214
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 5140498
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92664037

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 15991423) is 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YEPRQOVDHHCQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c1-22(2)27(25,26)23(15-6-4-3-5-7-15)12-16(24)21-14-10-8-13(9-11-14)17(18,19)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 15991423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).