ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate

C18H19NO4S — CID 31782399

IUPACethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C18H19NO4S/c1-2-23-18(22)13-7-3-4-8-14(13)19-17(21)11-5-9-15(20)16-10-6-12-24-16/h3-4,6-8,10,12H,2,5,9,11H2,1H3,(H,19,21)
InChIKeyUUSYQAMUMHQAJS-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.92
Rot. Bonds8

About ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate

ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate (PubChem CID 31782399) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate
PubChem CID31782399
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Nameethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCCC(=O)c1cccs1
InChIInChI=1S/C18H19NO4S/c1-2-23-18(22)13-7-3-4-8-14(13)19-17(21)11-5-9-15(20)16-10-6-12-24-16/h3-4,6-8,10,12H,2,5,9,11H2,1H3,(H,19,21)
InChIKeyUUSYQAMUMHQAJS-UHFFFAOYSA-N
XLogP3.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate (CID 31782399) is ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCCC(=O)c1cccs1.
What is the InChIKey of ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate?
The InChIKey is UUSYQAMUMHQAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-2-23-18(22)13-7-3-4-8-14(13)19-17(21)11-5-9-15(20)16-10-6-12-24-16/h3-4,6-8,10,12H,2,5,9,11H2,1H3,(H,19,21).
What are the key properties of ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate?
ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate has a molecular weight of 345.42 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate is sourced from PubChem (CID 31782399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).