N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide

C18H19ClF3N3O3S — CID 4847009

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19ClF3N3O3S/c1-11-4-6-13(9-16(11)29(27,28)25(2)3)23-10-17(26)24-15-7-5-12(19)8-14(15)18(20,21)22/h4-9,23H,10H2,1-3H3,(H,24,26)
InChIKeyRMOVHTNHUCLIJG-UHFFFAOYSA-N
MW449.88 g/mol
LogP3.97
Rot. Bonds6

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide (PubChem CID 4847009) has the molecular formula C18H19ClF3N3O3S and a molecular weight of 449.88 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
PubChem CID4847009
Molecular FormulaC18H19ClF3N3O3S
Molecular Weight449.88 g/mol
Exact Mass449.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19ClF3N3O3S/c1-11-4-6-13(9-16(11)29(27,28)25(2)3)23-10-17(26)24-15-7-5-12(19)8-14(15)18(20,21)22/h4-9,23H,10H2,1-3H3,(H,24,26)
InChIKeyRMOVHTNHUCLIJG-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide
CID 109010316
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417269
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide
CID 109042579
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide
CID 26438400
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 18096563
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
2-(2,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 42965042

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide (CID 4847009) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide is Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide?
The InChIKey is RMOVHTNHUCLIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O3S/c1-11-4-6-13(9-16(11)29(27,28)25(2)3)23-10-17(26)24-15-7-5-12(19)8-14(15)18(20,21)22/h4-9,23H,10H2,1-3H3,(H,24,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide has a molecular weight of 449.88 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide is sourced from PubChem (CID 4847009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).