butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate

C23H24N2O6S — CID 35143678

IUPACbutyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C23H24N2O6S/c1-2-3-13-31-23(27)17-9-11-19(12-10-17)25-22(26)18-6-4-8-21(15-18)32(28,29)24-16-20-7-5-14-30-20/h4-12,14-15,24H,2-3,13,16H2,1H3,(H,25,26)
InChIKeyWCYDCDFGSWUAGF-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.97
Rot. Bonds10

About butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate

butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 35143678) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
PubChem CID35143678
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Namebutyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C23H24N2O6S/c1-2-3-13-31-23(27)17-9-11-19(12-10-17)25-22(26)18-6-4-8-21(15-18)32(28,29)24-16-20-7-5-14-30-20/h4-12,14-15,24H,2-3,13,16H2,1H3,(H,25,26)
InChIKeyWCYDCDFGSWUAGF-UHFFFAOYSA-N
XLogP3.97
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17170974
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55728535
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976486
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate (CID 35143678) is butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is WCYDCDFGSWUAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-2-3-13-31-23(27)17-9-11-19(12-10-17)25-22(26)18-6-4-8-21(15-18)32(28,29)24-16-20-7-5-14-30-20/h4-12,14-15,24H,2-3,13,16H2,1H3,(H,25,26).
What are the key properties of butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate?
butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 456.52 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 35143678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).