N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide

C13H14N2O4S — CID 121022615

IUPACN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)NCCN2C(=O)COC2=O)c1
InChIInChI=1S/C13H14N2O4S/c1-20-10-4-2-3-9(7-10)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)
InChIKeyCAOJMMQWRYJIEI-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide

N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide (PubChem CID 121022615) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide
PubChem CID121022615
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)NCCN2C(=O)COC2=O)c1
InChIInChI=1S/C13H14N2O4S/c1-20-10-4-2-3-9(7-10)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)
InChIKeyCAOJMMQWRYJIEI-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide (CID 121022615) is N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide is CSc1cccc(C(=O)NCCN2C(=O)COC2=O)c1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide?
The InChIKey is CAOJMMQWRYJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-20-10-4-2-3-9(7-10)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17).
What are the key properties of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide?
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide has a molecular weight of 294.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 121022615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).