2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide

C21H21F2N3O4S — CID 155116524

IUPAC2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1cccc(C(C)C)c1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H21F2N3O4S/c1-12(2)13-7-5-10-17(30-4)19(13)31(28,29)25-21(27)16-11-26(3)20(24-16)18-14(22)8-6-9-15(18)23/h5-12H,1-4H3,(H,25,27)
InChIKeySNTDJKSXBLJLPP-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.62
Rot. Bonds6

About 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide

2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 155116524) has the molecular formula C21H21F2N3O4S and a molecular weight of 449.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID155116524
Molecular FormulaC21H21F2N3O4S
Molecular Weight449.48 g/mol
Exact Mass449.12
IUPAC Name2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCOc1cccc(C(C)C)c1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H21F2N3O4S/c1-12(2)13-7-5-10-17(30-4)19(13)31(28,29)25-21(27)16-11-26(3)20(24-16)18-14(22)8-6-9-15(18)23/h5-12H,1-4H3,(H,25,27)
InChIKeySNTDJKSXBLJLPP-UHFFFAOYSA-N
XLogP3.62
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121
2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide
CID 130437704
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-(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-(5-acetyl-2-methylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116356
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132
6-N-(2-methoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100651
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42941103

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide (CID 155116524) is 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide is COc1cccc(C(C)C)c1S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is SNTDJKSXBLJLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4S/c1-12(2)13-7-5-10-17(30-4)19(13)31(28,29)25-21(27)16-11-26(3)20(24-16)18-14(22)8-6-9-15(18)23/h5-12H,1-4H3,(H,25,27).
What are the key properties of 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(2-methoxy-6-propan-2-ylphenyl)sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).