4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide

C22H19F3N4O4S — CID 43050553

IUPAC4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1
InChIInChI=1S/C22H19F3N4O4S/c1-2-26-34(31,32)17-8-5-14(6-9-17)20(30)28-21-27-18-12-15(22(23,24)25)7-10-19(18)29(21)13-16-4-3-11-33-16/h3-12,26H,2,13H2,1H3,(H,27,28,30)
InChIKeyUHBPPEAPNAIYCX-UHFFFAOYSA-N
MW492.48 g/mol
LogP4.25
Rot. Bonds7

About 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide

4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide (PubChem CID 43050553) has the molecular formula C22H19F3N4O4S and a molecular weight of 492.48 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
PubChem CID43050553
Molecular FormulaC22H19F3N4O4S
Molecular Weight492.48 g/mol
Exact Mass492.11
IUPAC Name4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1
InChIInChI=1S/C22H19F3N4O4S/c1-2-26-34(31,32)17-8-5-14(6-9-17)20(30)28-21-27-18-12-15(22(23,24)25)7-10-19(18)29(21)13-16-4-3-11-33-16/h3-12,26H,2,13H2,1H3,(H,27,28,30)
InChIKeyUHBPPEAPNAIYCX-UHFFFAOYSA-N
XLogP4.25
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
CID 55461087
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17410225
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 43050535
4-acetyl-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 43050525
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 60604429
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1,3-benzodioxole-4-carboxamide
CID 55835451
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55650953
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43050532
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
CID 90719945
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 43050556
3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46310165
2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310275

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide (CID 43050553) is 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide is CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide?
The InChIKey is UHBPPEAPNAIYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O4S/c1-2-26-34(31,32)17-8-5-14(6-9-17)20(30)28-21-27-18-12-15(22(23,24)25)7-10-19(18)29(21)13-16-4-3-11-33-16/h3-12,26H,2,13H2,1H3,(H,27,28,30).
What are the key properties of 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide?
4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide has a molecular weight of 492.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 43050553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).