N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C13H16N2O5S — CID 14011257

IUPACN-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(S(C)(=O)=O)cc2)C(=O)O1
InChIInChI=1S/C13H16N2O5S/c1-9(16)14-7-11-8-15(13(17)20-11)10-3-5-12(6-4-10)21(2,18)19/h3-6,11H,7-8H2,1-2H3,(H,14,16)
InChIKeyZSZLMNHKBXQBRC-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.55
Rot. Bonds4

About N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011257) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011257
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC NameN-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(S(C)(=O)=O)cc2)C(=O)O1
InChIInChI=1S/C13H16N2O5S/c1-9(16)14-7-11-8-15(13(17)20-11)10-3-5-12(6-4-10)21(2,18)19/h3-6,11H,7-8H2,1-2H3,(H,14,16)
InChIKeyZSZLMNHKBXQBRC-UHFFFAOYSA-N
XLogP0.55
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011257) is N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(S(C)(=O)=O)cc2)C(=O)O1.
What is the InChIKey of N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZSZLMNHKBXQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-9(16)14-7-11-8-15(13(17)20-11)10-3-5-12(6-4-10)21(2,18)19/h3-6,11H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 312.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).