5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide

C13H16N2O4S — CID 91789282

IUPAC5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCN2CCCOC2=O)s1
InChIInChI=1S/C13H16N2O4S/c1-9(16)10-3-4-11(20-10)12(17)14-5-7-15-6-2-8-19-13(15)18/h3-4H,2,5-8H2,1H3,(H,14,17)
InChIKeyNEVZXGFTCZSNNE-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.52
Rot. Bonds5

About 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide

5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 91789282) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID91789282
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCN2CCCOC2=O)s1
InChIInChI=1S/C13H16N2O4S/c1-9(16)10-3-4-11(20-10)12(17)14-5-7-15-6-2-8-19-13(15)18/h3-4H,2,5-8H2,1H3,(H,14,17)
InChIKeyNEVZXGFTCZSNNE-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide (CID 91789282) is 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCCN2CCCOC2=O)s1.
What is the InChIKey of 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is NEVZXGFTCZSNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9(16)10-3-4-11(20-10)12(17)14-5-7-15-6-2-8-19-13(15)18/h3-4H,2,5-8H2,1H3,(H,14,17).
What are the key properties of 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide?
5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 91789282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).