[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate

C24H26N2O6S — CID 42987157

IUPAC[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCCc1ccc(C(C)NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C24H26N2O6S/c1-3-18-9-11-19(12-10-18)17(2)26-23(27)16-32-24(28)20-6-4-8-22(14-20)33(29,30)25-15-21-7-5-13-31-21/h4-14,17,25H,3,15-16H2,1-2H3,(H,26,27)
InChIKeyPMXLMERNRRDZHU-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.35
Rot. Bonds10

About [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate

[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 42987157) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID42987157
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCCc1ccc(C(C)NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C24H26N2O6S/c1-3-18-9-11-19(12-10-18)17(2)26-23(27)16-32-24(28)20-6-4-8-22(14-20)33(29,30)25-15-21-7-5-13-31-21/h4-14,17,25H,3,15-16H2,1-2H3,(H,26,27)
InChIKeyPMXLMERNRRDZHU-UHFFFAOYSA-N
XLogP3.35
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976486
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526918
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 46789450
(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 41195143
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
CID 42900495
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976489

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate (CID 42987157) is [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate is CCc1ccc(C(C)NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is PMXLMERNRRDZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-3-18-9-11-19(12-10-18)17(2)26-23(27)16-32-24(28)20-6-4-8-22(14-20)33(29,30)25-15-21-7-5-13-31-21/h4-14,17,25H,3,15-16H2,1-2H3,(H,26,27).
What are the key properties of [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 470.55 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 42987157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).