[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C23H24N2O6S — CID 2402315

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C23H24N2O6S/c1-17(2)25(19-7-4-3-5-8-19)22(26)16-31-23(27)18-10-12-21(13-11-18)32(28,29)24-15-20-9-6-14-30-20/h3-14,17,24H,15-16H2,1-2H3
InChIKeyFHSGYQHTHKOYBQ-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.36
Rot. Bonds9

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2402315) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2402315
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C23H24N2O6S/c1-17(2)25(19-7-4-3-5-8-19)22(26)16-31-23(27)18-10-12-21(13-11-18)32(28,29)24-15-20-9-6-14-30-20/h3-14,17,24H,15-16H2,1-2H3
InChIKeyFHSGYQHTHKOYBQ-UHFFFAOYSA-N
XLogP3.36
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550208
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526918
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3970570
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116728

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2402315) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is CC(C)N(C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is FHSGYQHTHKOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-17(2)25(19-7-4-3-5-8-19)22(26)16-31-23(27)18-10-12-21(13-11-18)32(28,29)24-15-20-9-6-14-30-20/h3-14,17,24H,15-16H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 456.52 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2402315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).