N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C22H19FN4O3S2 — CID 55956808

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C22H19FN4O3S2/c23-20-14-17(5-8-21(20)27-12-11-24-15-27)26-22(28)16-3-6-19(7-4-16)32(29,30)25-10-9-18-2-1-13-31-18/h1-8,11-15,25H,9-10H2,(H,26,28)
InChIKeyRANQMKHRKOUFTD-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.85
Rot. Bonds8

About N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 55956808) has the molecular formula C22H19FN4O3S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID55956808
Molecular FormulaC22H19FN4O3S2
Molecular Weight470.55 g/mol
Exact Mass470.09
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C22H19FN4O3S2/c23-20-14-17(5-8-21(20)27-12-11-24-15-27)26-22(28)16-3-6-19(7-4-16)32(29,30)25-10-9-18-2-1-13-31-18/h1-8,11-15,25H,9-10H2,(H,26,28)
InChIKeyRANQMKHRKOUFTD-UHFFFAOYSA-N
XLogP3.85
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55956042
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31887518
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166
N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
CID 55959107
N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31909402
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55595735
4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate
CID 9160250
(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
CID 55955653
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
4-[(4-fluorophenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 27770451
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 55956808) is N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is RANQMKHRKOUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S2/c23-20-14-17(5-8-21(20)27-12-11-24-15-27)26-22(28)16-3-6-19(7-4-16)32(29,30)25-10-9-18-2-1-13-31-18/h1-8,11-15,25H,9-10H2,(H,26,28).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 55956808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).