3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide

C20H21FN4O3S — CID 86906162

IUPAC3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NCCc2nc3c(F)cccc3n2C)c1
InChIInChI=1S/C20H21FN4O3S/c1-3-11-22-20(26)14-6-4-7-15(13-14)29(27,28)23-12-10-18-24-19-16(21)8-5-9-17(19)25(18)2/h3-9,13,23H,1,10-12H2,2H3,(H,22,26)
InChIKeyBQCQZGWXFGRDFQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.15
Rot. Bonds8

About 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide

3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 86906162) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide
PubChem CID86906162
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NCCc2nc3c(F)cccc3n2C)c1
InChIInChI=1S/C20H21FN4O3S/c1-3-11-22-20(26)14-6-4-7-15(13-14)29(27,28)23-12-10-18-24-19-16(21)8-5-9-17(19)25(18)2/h3-9,13,23H,1,10-12H2,2H3,(H,22,26)
InChIKeyBQCQZGWXFGRDFQ-UHFFFAOYSA-N
XLogP2.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86935839
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86879597
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
(E)-3-(2,4-dimethylphenyl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 86935842
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-prop-2-enylbenzamide
CID 31529071
N-[4-(4-chloroanilino)-4-oxobutyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55862592
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55717526
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide (CID 86906162) is 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2nc3c(F)cccc3n2C)c1.
What is the InChIKey of 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is BQCQZGWXFGRDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-3-11-22-20(26)14-6-4-7-15(13-14)29(27,28)23-12-10-18-24-19-16(21)8-5-9-17(19)25(18)2/h3-9,13,23H,1,10-12H2,2H3,(H,22,26).
What are the key properties of 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide?
3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 416.48 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylsulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 86906162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).