[2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate

C19H23NO3S — CID 16516840

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)NCCc2ccccc2)sc1C
InChIInChI=1S/C19H23NO3S/c1-3-7-16-12-17(24-14(16)2)19(22)23-13-18(21)20-11-10-15-8-5-4-6-9-15/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,20,21)
InChIKeyNEHDUFOKCXPJLU-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.52
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 16516840) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID16516840
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)NCCc2ccccc2)sc1C
InChIInChI=1S/C19H23NO3S/c1-3-7-16-12-17(24-14(16)2)19(22)23-13-18(21)20-11-10-15-8-5-4-6-9-15/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,20,21)
InChIKeyNEHDUFOKCXPJLU-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate (CID 16516840) is [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)OCC(=O)NCCc2ccccc2)sc1C.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is NEHDUFOKCXPJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-7-16-12-17(24-14(16)2)19(22)23-13-18(21)20-11-10-15-8-5-4-6-9-15/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 345.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 16516840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).