[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C24H28N2O6S — CID 4310598

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N2O6S/c27-22(26-24-11-16-8-17(12-24)10-18(9-16)13-24)15-32-23(28)19-3-5-21(6-4-19)33(29,30)25-14-20-2-1-7-31-20/h1-7,16-18,25H,8-15H2,(H,26,27)
InChIKeyZHFKTARNMRBSKQ-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.00
Rot. Bonds8

About [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 4310598) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID4310598
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N2O6S/c27-22(26-24-11-16-8-17(12-24)10-18(9-16)13-24)15-32-23(28)19-3-5-21(6-4-19)33(29,30)25-14-20-2-1-7-31-20/h1-7,16-18,25H,8-15H2,(H,26,27)
InChIKeyZHFKTARNMRBSKQ-UHFFFAOYSA-N
XLogP3.00
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24539659
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2122621
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[2-(1-adamantylamino)-2-oxoethyl] 4-aminobenzoate
CID 4648812
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526919
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2409383
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526906

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 4310598) is [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is ZHFKTARNMRBSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S/c27-22(26-24-11-16-8-17(12-24)10-18(9-16)13-24)15-32-23(28)19-3-5-21(6-4-19)33(29,30)25-14-20-2-1-7-31-20/h1-7,16-18,25H,8-15H2,(H,26,27).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 472.56 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 4310598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).