N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

C20H19F3N4O3S — CID 92681992

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O3S/c1-31(29,30)27(18-4-2-3-16(11-18)20(21,22)23)13-19(28)25-12-15-5-7-17(8-6-15)26-10-9-24-14-26/h2-11,14H,12-13H2,1H3,(H,25,28)
InChIKeyWVSQVPGGAJXCNL-UHFFFAOYSA-N
MW452.46 g/mol
LogP2.97
Rot. Bonds7

About N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 92681992) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID92681992
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O3S/c1-31(29,30)27(18-4-2-3-16(11-18)20(21,22)23)13-19(28)25-12-15-5-7-17(8-6-15)26-10-9-24-14-26/h2-11,14H,12-13H2,1H3,(H,25,28)
InChIKeyWVSQVPGGAJXCNL-UHFFFAOYSA-N
XLogP2.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 92678156
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 38001939
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30274087
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767097
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 46772606
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 28636998
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99940421
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43876048
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99957374
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30303835
2-(N-methylsulfonyl-3-nitroanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100598699
N-[3-(4-fluorophenyl)propyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30221272

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 92681992) is N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is WVSQVPGGAJXCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c1-31(29,30)27(18-4-2-3-16(11-18)20(21,22)23)13-19(28)25-12-15-5-7-17(8-6-15)26-10-9-24-14-26/h2-11,14H,12-13H2,1H3,(H,25,28).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 452.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 92681992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).