1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide

C13H18N2O4S — CID 110707299

IUPAC1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCN2CCOC2=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)10-20(17,18)14-6-7-15-8-9-19-13(15)16/h2-5,14H,6-10H2,1H3
InChIKeyQJQKGZZYBIJPRI-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.87
Rot. Bonds6

About 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide

1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide (PubChem CID 110707299) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide
PubChem CID110707299
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCN2CCOC2=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)10-20(17,18)14-6-7-15-8-9-19-13(15)16/h2-5,14H,6-10H2,1H3
InChIKeyQJQKGZZYBIJPRI-UHFFFAOYSA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide (CID 110707299) is 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCCN2CCOC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide?
The InChIKey is QJQKGZZYBIJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)10-20(17,18)14-6-7-15-8-9-19-13(15)16/h2-5,14H,6-10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide?
1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110707299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).