2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide

C15H18F2N4O3S — CID 130437704

IUPAC2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide
SMILESCC(C)N(C)S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H18F2N4O3S/c1-9(2)21(4)25(23,24)19-15(22)12-8-20(3)14(18-12)13-10(16)6-5-7-11(13)17/h5-9H,1-4H3,(H,19,22)
InChIKeyJQYVIHJQHSSTFG-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.68
Rot. Bonds5

About 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide

2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide (PubChem CID 130437704) has the molecular formula C15H18F2N4O3S and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide
PubChem CID130437704
Molecular FormulaC15H18F2N4O3S
Molecular Weight372.40 g/mol
Exact Mass372.11
IUPAC Name2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide
SMILESCC(C)N(C)S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H18F2N4O3S/c1-9(2)21(4)25(23,24)19-15(22)12-8-20(3)14(18-12)13-10(16)6-5-7-11(13)17/h5-9H,1-4H3,(H,19,22)
InChIKeyJQYVIHJQHSSTFG-UHFFFAOYSA-N
XLogP1.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide (CID 130437704) is 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide is CC(C)N(C)S(=O)(=O)NC(=O)c1cn(C)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide?
The InChIKey is JQYVIHJQHSSTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O3S/c1-9(2)21(4)25(23,24)19-15(22)12-8-20(3)14(18-12)13-10(16)6-5-7-11(13)17/h5-9H,1-4H3,(H,19,22).
What are the key properties of 2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide?
2-(2,6-difluorophenyl)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.68, 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)-1-methyl-N-[methyl(propan-2-yl)sulfamoyl]imidazole-4-carboxamide is sourced from PubChem (CID 130437704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).