[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate

C24H24N2O5S — CID 2512656

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCCc1ccccc1
InChIInChI=1S/C24H24N2O5S/c27-23(25-17-7-10-19-8-3-1-4-9-19)18-31-24(28)20-13-15-22(16-14-20)32(29,30)26-21-11-5-2-6-12-21/h1-6,8-9,11-16,26H,7,10,17-18H2,(H,25,27)
InChIKeyJFLHRSGVOIQHPI-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.39
Rot. Bonds10

About [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate

[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate (PubChem CID 2512656) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate
PubChem CID2512656
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCCc1ccccc1
InChIInChI=1S/C24H24N2O5S/c27-23(25-17-7-10-19-8-3-1-4-9-19)18-31-24(28)20-13-15-22(16-14-20)32(29,30)26-21-11-5-2-6-12-21/h1-6,8-9,11-16,26H,7,10,17-18H2,(H,25,27)
InChIKeyJFLHRSGVOIQHPI-UHFFFAOYSA-N
XLogP3.39
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(3-phenylpropylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623650
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512361
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42967803
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2450471
[2-oxo-2-(propylamino)ethyl] 4-[(4-fluorophenyl)sulfamoyl]benzoate
CID 9329423
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
CID 2372648
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-(methoxymethyl)benzoate
CID 33408284
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512645
[2-oxo-2-(3-phenylpropylamino)ethyl] 4-methylsulfonyl-3-nitrobenzoate
CID 2620590
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 38851740
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-chlorobenzoate
CID 2504142

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate (CID 2512656) is [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate is O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate?
The InChIKey is JFLHRSGVOIQHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c27-23(25-17-7-10-19-8-3-1-4-9-19)18-31-24(28)20-13-15-22(16-14-20)32(29,30)26-21-11-5-2-6-12-21/h1-6,8-9,11-16,26H,7,10,17-18H2,(H,25,27).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate has a molecular weight of 452.53 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 2512656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).