N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide

C20H17F2N3O4S — CID 155116356

IUPACN-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCC(=O)c1ccc(C)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)c1
InChIInChI=1S/C20H17F2N3O4S/c1-11-7-8-13(12(2)26)9-17(11)30(28,29)24-20(27)16-10-25(3)19(23-16)18-14(21)5-4-6-15(18)22/h4-10H,1-3H3,(H,24,27)
InChIKeyGCQZUBAJCHQDGB-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.00
Rot. Bonds5

About N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide

N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116356) has the molecular formula C20H17F2N3O4S and a molecular weight of 433.44 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID155116356
Molecular FormulaC20H17F2N3O4S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC NameN-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCC(=O)c1ccc(C)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)c1
InChIInChI=1S/C20H17F2N3O4S/c1-11-7-8-13(12(2)26)9-17(11)30(28,29)24-20(27)16-10-25(3)19(23-16)18-14(21)5-4-6-15(18)22/h4-10H,1-3H3,(H,24,27)
InChIKeyGCQZUBAJCHQDGB-UHFFFAOYSA-N
XLogP3.00
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide 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

2-(2,6-difluorophenyl)-N-(4-fluoro-2-methylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116617
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
N-(2-chloro-3-fluorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116486
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
2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide
CID 130437704
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121
2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116524
1-methyl-N-(2-methylphenyl)sulfonyl-2-pyridin-3-ylimidazole-4-carboxamide
CID 155116563
5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 39357441
2-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116327

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide (CID 155116356) is N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is CC(=O)c1ccc(C)c(S(=O)(=O)NC(=O)c2cn(C)c(-c3c(F)cccc3F)n2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is GCQZUBAJCHQDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O4S/c1-11-7-8-13(12(2)26)9-17(11)30(28,29)24-20(27)16-10-25(3)19(23-16)18-14(21)5-4-6-15(18)22/h4-10H,1-3H3,(H,24,27).
What are the key properties of N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide?
N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).