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

C14H16N2O3S — CID 10039989

IUPACN-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C(C)=O)cc2)C(=S)O1
InChIInChI=1S/C14H16N2O3S/c1-9(17)11-3-5-12(6-4-11)16-8-13(19-14(16)20)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)
InChIKeySSKKAUKXLFTYBU-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.52
Rot. Bonds4

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

N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10039989) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10039989
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C(C)=O)cc2)C(=S)O1
InChIInChI=1S/C14H16N2O3S/c1-9(17)11-3-5-12(6-4-11)16-8-13(19-14(16)20)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)
InChIKeySSKKAUKXLFTYBU-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57081651
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
N-[[(5R)-3-(4-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54256476
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987724
N-[[(5S)-3-[4-[2-(4-acetylphenyl)-2-bromoethyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70146695

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10039989) is N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(C(C)=O)cc2)C(=S)O1.
What is the InChIKey of N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SSKKAUKXLFTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9(17)11-3-5-12(6-4-11)16-8-13(19-14(16)20)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-acetylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10039989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).