N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide

C18H20N2O3S — CID 110328025

IUPACN-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(N2CC(CNC(=O)Cc3cccs3)OC2=O)cc1C
InChIInChI=1S/C18H20N2O3S/c1-12-5-6-14(8-13(12)2)20-11-15(23-18(20)22)10-19-17(21)9-16-4-3-7-24-16/h3-8,15H,9-11H2,1-2H3,(H,19,21)
InChIKeyIGGFTTSBNNJSGM-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.05
Rot. Bonds5

About N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide

N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 110328025) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID110328025
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(N2CC(CNC(=O)Cc3cccs3)OC2=O)cc1C
InChIInChI=1S/C18H20N2O3S/c1-12-5-6-14(8-13(12)2)20-11-15(23-18(20)22)10-19-17(21)9-16-4-3-7-24-16/h3-8,15H,9-11H2,1-2H3,(H,19,21)
InChIKeyIGGFTTSBNNJSGM-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-ethylbutanamide
CID 110328010
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328016
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methoxybenzamide
CID 110328021
3,4-dimethyl-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327775
1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 16923127
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,4-dimethylbenzamide
CID 110327662
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 110367798
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
CID 110328345
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 40897485
2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 112532614

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide (CID 110328025) is N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide is Cc1ccc(N2CC(CNC(=O)Cc3cccs3)OC2=O)cc1C.
What is the InChIKey of N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is IGGFTTSBNNJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-5-6-14(8-13(12)2)20-11-15(23-18(20)22)10-19-17(21)9-16-4-3-7-24-16/h3-8,15H,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 344.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110328025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).