[2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

C26H28N2O5S — CID 16528542

IUPAC[2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O5S/c1-18-13-14-19(2)24(15-18)34(31,32)28-23-12-8-7-11-22(23)26(30)33-17-25(29)27-16-20(3)21-9-5-4-6-10-21/h4-15,20,28H,16-17H2,1-3H3,(H,27,29)
InChIKeyHGBBOMDYGNBULT-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.18
Rot. Bonds9

About [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate

[2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate (PubChem CID 16528542) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate
PubChem CID16528542
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O5S/c1-18-13-14-19(2)24(15-18)34(31,32)28-23-12-8-7-11-22(23)26(30)33-17-25(29)27-16-20(3)21-9-5-4-6-10-21/h4-15,20,28H,16-17H2,1-3H3,(H,27,29)
InChIKeyHGBBOMDYGNBULT-UHFFFAOYSA-N
XLogP4.18
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]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-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
CID 7971711
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 2626936
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,5-dimethylbenzoate
CID 8535856
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569341
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993837
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507362
phenacyl 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate
CID 3311794
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-chloropyridine-3-carboxylate
CID 7867520
methyl 2-[[2-[2-(2,5-dimethylphenyl)sulfonyloxybenzoyl]oxyacetyl]amino]benzoate
CID 2535315

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate (CID 16528542) is [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)NCC(C)c2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
The InChIKey is HGBBOMDYGNBULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-18-13-14-19(2)24(15-18)34(31,32)28-23-12-8-7-11-22(23)26(30)33-17-25(29)27-16-20(3)21-9-5-4-6-10-21/h4-15,20,28H,16-17H2,1-3H3,(H,27,29).
What are the key properties of [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate?
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate has a molecular weight of 480.59 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylpropylamino)ethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16528542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).