N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide

C16H20F2N4O3S — CID 38342674

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)Cc2nccn2C(F)F)cc(C)c1C
InChIInChI=1S/C16H20F2N4O3S/c1-10-7-12(8-13(11(10)2)26(24,25)19-3)15(23)21(4)9-14-20-5-6-22(14)16(17)18/h5-8,16,19H,9H2,1-4H3
InChIKeyFSXIGPGBMMQKDR-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.08
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 38342674) has the molecular formula C16H20F2N4O3S and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide
PubChem CID38342674
Molecular FormulaC16H20F2N4O3S
Molecular Weight386.42 g/mol
Exact Mass386.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)Cc2nccn2C(F)F)cc(C)c1C
InChIInChI=1S/C16H20F2N4O3S/c1-10-7-12(8-13(11(10)2)26(24,25)19-3)15(23)21(4)9-14-20-5-6-22(14)16(17)18/h5-8,16,19H,9H2,1-4H3
InChIKeyFSXIGPGBMMQKDR-UHFFFAOYSA-N
XLogP2.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Imidazol-1-yl-propylsulfamoyl)-N-isopropyl-2-methyl-benzamide
CID 6457658
3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 3903324
N-(diaminomethylidene)-4-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58269668
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
3-(benzylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 4879342
CID 6602839
CID 6602839
3-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 9551924
N-[[(1R,5S)-6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(trifluoromethyl)benzamide
CID 76310589
N-[[(1R,5S)-6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethyl)benzamide
CID 76325109
US9656955, Example 37
CID 90404825
US9656955, Example 36
CID 90405730
US9656955, Example 64
CID 90407003

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide (CID 38342674) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)N(C)Cc2nccn2C(F)F)cc(C)c1C.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is FSXIGPGBMMQKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O3S/c1-10-7-12(8-13(11(10)2)26(24,25)19-3)15(23)21(4)9-14-20-5-6-22(14)16(17)18/h5-8,16,19H,9H2,1-4H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 386.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 38342674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).