[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

C24H26N2O6S — CID 33495176

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCC(=O)NCCCc1ccccc1
InChIInChI=1S/C24H26N2O6S/c1-18-11-12-21(33(29,30)26-16-20-10-6-14-31-20)15-22(18)24(28)32-17-23(27)25-13-5-9-19-7-3-2-4-8-19/h2-4,6-8,10-12,14-15,26H,5,9,13,16-17H2,1H3,(H,25,27)
InChIKeyQRNCZVBCRCEYRI-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.97
Rot. Bonds11

About [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (PubChem CID 33495176) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
PubChem CID33495176
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCC(=O)NCCCc1ccccc1
InChIInChI=1S/C24H26N2O6S/c1-18-11-12-21(33(29,30)26-16-20-10-6-14-31-20)15-22(18)24(28)32-17-23(27)25-13-5-9-19-7-3-2-4-8-19/h2-4,6-8,10-12,14-15,26H,5,9,13,16-17H2,1H3,(H,25,27)
InChIKeyQRNCZVBCRCEYRI-UHFFFAOYSA-N
XLogP2.97
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate 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-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
[2-(tert-butylamino)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 55323321
[2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate
CID 7837296
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 46691070
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495265
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 38901082
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (CID 33495176) is [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCC(=O)NCCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The InChIKey is QRNCZVBCRCEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-18-11-12-21(33(29,30)26-16-20-10-6-14-31-20)15-22(18)24(28)32-17-23(27)25-13-5-9-19-7-3-2-4-8-19/h2-4,6-8,10-12,14-15,26H,5,9,13,16-17H2,1H3,(H,25,27).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate has a molecular weight of 470.55 g/mol, XLogP of 2.97, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 33495176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).