[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate

C19H19NO4S — CID 8627359

IUPAC[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H19NO4S/c1-14(21)11-12-19(23)24-13-18(22)20-16-9-5-6-10-17(16)25-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,20,22)
InChIKeySDBUHVPKEZIDLW-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.69
Rot. Bonds8

About [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate

[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate (PubChem CID 8627359) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate
PubChem CID8627359
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H19NO4S/c1-14(21)11-12-19(23)24-13-18(22)20-16-9-5-6-10-17(16)25-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,20,22)
InChIKeySDBUHVPKEZIDLW-UHFFFAOYSA-N
XLogP3.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060515
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(4-fluorophenyl)acetate
CID 7759345
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 2358318
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-acetylthiophene-2-carboxylate
CID 46659733
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3,5-dimethylbenzoate
CID 7749615
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427822
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 4856114
4-[2-oxo-2-(2-phenylsulfanylanilino)ethoxy]benzamide
CID 7931590
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-chlorobenzoate
CID 7860058

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate?
The IUPAC name of [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate (CID 8627359) is [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate?
The canonical SMILES for [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate is CC(=O)CCC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate?
The InChIKey is SDBUHVPKEZIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-14(21)11-12-19(23)24-13-18(22)20-16-9-5-6-10-17(16)25-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,20,22).
What are the key properties of [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate?
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate has a molecular weight of 357.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate is sourced from PubChem (CID 8627359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).