1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide

C18H14F3N3O3S — CID 155116183

IUPAC1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C18H14F3N3O3S/c1-10-5-3-4-6-15(10)28(26,27)23-18(25)14-9-24(2)17(22-14)16-12(20)7-11(19)8-13(16)21/h3-9H,1-2H3,(H,23,25)
InChIKeyMYVPRHXCFOAUMV-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.93
Rot. Bonds4

About 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide

1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide (PubChem CID 155116183) has the molecular formula C18H14F3N3O3S and a molecular weight of 409.39 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
PubChem CID155116183
Molecular FormulaC18H14F3N3O3S
Molecular Weight409.39 g/mol
Exact Mass409.07
IUPAC Name1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C18H14F3N3O3S/c1-10-5-3-4-6-15(10)28(26,27)23-18(25)14-9-24(2)17(22-14)16-12(20)7-11(19)8-13(16)21/h3-9H,1-2H3,(H,23,25)
InChIKeyMYVPRHXCFOAUMV-UHFFFAOYSA-N
XLogP2.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116617
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116356
2-(2,6-difluorophenyl)-1-methyl-N-(2,4,6-trimethylphenyl)sulfonylimidazole-4-carboxamide
CID 155116512
1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide
CID 155116563
2-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
N-[2,5-bis(trifluoromethyl)phenyl]sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116359
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
N-(3,4-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 148864284
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
CID 155116630
2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide
CID 130437704

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide (CID 155116183) is 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cc(F)cc2F)n1.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide?
The InChIKey is MYVPRHXCFOAUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S/c1-10-5-3-4-6-15(10)28(26,27)23-18(25)14-9-24(2)17(22-14)16-12(20)7-11(19)8-13(16)21/h3-9H,1-2H3,(H,23,25).
What are the key properties of 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide?
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 155116183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).