4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide

C23H26N2O5S — CID 55868652

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H26N2O5S/c1-17(2)30-16-19-7-5-18(6-8-19)14-24-23(26)20-9-11-22(12-10-20)31(27,28)25-15-21-4-3-13-29-21/h3-13,17,25H,14-16H2,1-2H3,(H,24,26)
InChIKeyAFCQYAFKOICYBR-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.61
Rot. Bonds10

About 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 55868652) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
PubChem CID55868652
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H26N2O5S/c1-17(2)30-16-19-7-5-18(6-8-19)14-24-23(26)20-9-11-22(12-10-20)31(27,28)25-15-21-4-3-13-29-21/h3-13,17,25H,14-16H2,1-2H3,(H,24,26)
InChIKeyAFCQYAFKOICYBR-UHFFFAOYSA-N
XLogP3.61
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55699972
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55707674
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558217
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 46655328
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide (CID 55868652) is 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide is CC(C)OCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is AFCQYAFKOICYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-17(2)30-16-19-7-5-18(6-8-19)14-24-23(26)20-9-11-22(12-10-20)31(27,28)25-15-21-4-3-13-29-21/h3-13,17,25H,14-16H2,1-2H3,(H,24,26).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55868652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).