4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C23H22N4O4S — CID 41419539

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1cccn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H22N4O4S/c28-23(24-15-19-5-1-2-6-20(19)17-27-13-4-12-25-27)18-8-10-22(11-9-18)32(29,30)26-16-21-7-3-14-31-21/h1-14,26H,15-17H2,(H,24,28)
InChIKeyBXNHVKBKRICRML-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.93
Rot. Bonds9

About 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 41419539) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID41419539
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1Cn1cccn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H22N4O4S/c28-23(24-15-19-5-1-2-6-20(19)17-27-13-4-12-25-27)18-8-10-22(11-9-18)32(29,30)26-16-21-7-3-14-31-21/h1-14,26H,15-17H2,(H,24,28)
InChIKeyBXNHVKBKRICRML-UHFFFAOYSA-N
XLogP2.93
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55699972
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55707674
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55634091
4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503
4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558217
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
4-(1,3-dithiolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24560815

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 41419539) is 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1Cn1cccn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is BXNHVKBKRICRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c28-23(24-15-19-5-1-2-6-20(19)17-27-13-4-12-25-27)18-8-10-22(11-9-18)32(29,30)26-16-21-7-3-14-31-21/h1-14,26H,15-17H2,(H,24,28).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 450.52 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 41419539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).