2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide

C20H19F2N3O3S — CID 155116265

IUPAC2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
SMILESCCc1c(C(=O)NS(=O)(=O)c2ccccc2C)nc(-c2c(F)cccc2F)n1C
InChIInChI=1S/C20H19F2N3O3S/c1-4-15-18(20(26)24-29(27,28)16-11-6-5-8-12(16)2)23-19(25(15)3)17-13(21)9-7-10-14(17)22/h5-11H,4H2,1-3H3,(H,24,26)
InChIKeyLRSLBDQBIMMEJD-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide

2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide (PubChem CID 155116265) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
PubChem CID155116265
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC Name2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
SMILESCCc1c(C(=O)NS(=O)(=O)c2ccccc2C)nc(-c2c(F)cccc2F)n1C
InChIInChI=1S/C20H19F2N3O3S/c1-4-15-18(20(26)24-29(27,28)16-11-6-5-8-12(16)2)23-19(25(15)3)17-13(21)9-7-10-14(17)22/h5-11H,4H2,1-3H3,(H,24,26)
InChIKeyLRSLBDQBIMMEJD-UHFFFAOYSA-N
XLogP3.35
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)sulfonyl-2-(2,6-difluorophenyl)-5-ethyl-1-methylimidazole-4-carboxamide
CID 155116455
1-methyl-N-(2-methylphenyl)sulfonyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxamide
CID 155116183
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
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
(2-methylphenyl)sulfonylurea
CID 20975378
5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116473
6,7-dichloro-N-(2-methylphenyl)sulfonyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 67909950
2-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide (CID 155116265) is 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide is CCc1c(C(=O)NS(=O)(=O)c2ccccc2C)nc(-c2c(F)cccc2F)n1C.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide?
The InChIKey is LRSLBDQBIMMEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-4-15-18(20(26)24-29(27,28)16-11-6-5-8-12(16)2)23-19(25(15)3)17-13(21)9-7-10-14(17)22/h5-11H,4H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-ethyl-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 155116265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).