N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide

C20H19F3N4O3S — CID 166391991

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
SMILESCc1cc(C(=O)NC(Cn2ccnc2)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C20H19F3N4O3S/c1-14-11-16(7-8-17(14)26-31(29,30)20(21,22)23)19(28)25-18(12-27-10-9-24-13-27)15-5-3-2-4-6-15/h2-11,13,18,26H,12H2,1H3,(H,25,28)
InChIKeyWTZWSKOSTBVOHH-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.62
Rot. Bonds7

About N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide

N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide (PubChem CID 166391991) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
PubChem CID166391991
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
SMILESCc1cc(C(=O)NC(Cn2ccnc2)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C20H19F3N4O3S/c1-14-11-16(7-8-17(14)26-31(29,30)20(21,22)23)19(28)25-18(12-27-10-9-24-13-27)15-5-3-2-4-6-15/h2-11,13,18,26H,12H2,1H3,(H,25,28)
InChIKeyWTZWSKOSTBVOHH-UHFFFAOYSA-N
XLogP3.62
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
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N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
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3-(2,6-diaminopyrimidin-4-yl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
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CID 70739178
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide (CID 166391991) is N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide is Cc1cc(C(=O)NC(Cn2ccnc2)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide?
The InChIKey is WTZWSKOSTBVOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c1-14-11-16(7-8-17(14)26-31(29,30)20(21,22)23)19(28)25-18(12-27-10-9-24-13-27)15-5-3-2-4-6-15/h2-11,13,18,26H,12H2,1H3,(H,25,28).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide?
N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide has a molecular weight of 452.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide is sourced from PubChem (CID 166391991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).