[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate

C23H23NO5S — CID 28567581

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OCCOc1ccccc1)NCCc1cccs1
InChIInChI=1S/C23H23NO5S/c25-22(24-13-12-19-9-6-16-30-19)17-29-23(26)20-10-4-5-11-21(20)28-15-14-27-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,24,25)
InChIKeyITRUTOZFMBTKBH-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.72
Rot. Bonds11

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate (PubChem CID 28567581) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate
PubChem CID28567581
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OCCOc1ccccc1)NCCc1cccs1
InChIInChI=1S/C23H23NO5S/c25-22(24-13-12-19-9-6-16-30-19)17-29-23(26)20-10-4-5-11-21(20)28-15-14-27-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,24,25)
InChIKeyITRUTOZFMBTKBH-UHFFFAOYSA-N
XLogP3.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-phenylmethoxybenzoate
CID 28562265
(2-oxo-2-thiophen-2-ylethyl) 2-(2-phenoxyethoxy)benzoate
CID 2549435
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-phenylmethoxybenzoate
CID 8952047
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16562405
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,4-dimethoxybenzoate
CID 7604434
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 8864600
[2-(tert-butylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595737
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
CID 17138532
2-(2-amino-2-oxoethoxy)-N-(2-thiophen-2-ylethyl)benzamide
CID 134031335
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-amino-4-fluorobenzoate
CID 24501401

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate (CID 28567581) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate is O=C(COC(=O)c1ccccc1OCCOc1ccccc1)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate?
The InChIKey is ITRUTOZFMBTKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c25-22(24-13-12-19-9-6-16-30-19)17-29-23(26)20-10-4-5-11-21(20)28-15-14-27-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,24,25).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate has a molecular weight of 425.51 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 28567581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).