3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene

C21H23NO4S — CID 143665503

IUPAC3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene
SMILESCOc1ccc2c(c1)SCC2CC(=O)N1CCOC1=O.Cc1ccccc1
InChIInChI=1S/C14H15NO4S.C7H8/c1-18-10-2-3-11-9(8-20-12(11)7-10)6-13(16)15-4-5-19-14(15)17;1-7-5-3-2-4-6-7/h2-3,7,9H,4-6,8H2,1H3;2-6H,1H3
InChIKeyULRLSTZNCSDTOQ-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.25
Rot. Bonds3

About 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene

3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene (PubChem CID 143665503) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene.

Molecular Properties

Compound Name3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene
PubChem CID143665503
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC Name3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene
SMILESCOc1ccc2c(c1)SCC2CC(=O)N1CCOC1=O.Cc1ccccc1
InChIInChI=1S/C14H15NO4S.C7H8/c1-18-10-2-3-11-9(8-20-12(11)7-10)6-13(16)15-4-5-19-14(15)17;1-7-5-3-2-4-6-7/h2-3,7,9H,4-6,8H2,1H3;2-6H,1H3
InChIKeyULRLSTZNCSDTOQ-UHFFFAOYSA-N
XLogP4.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene with MolForge

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Related Compounds

3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 102035687
(4S)-3-[(2S,3S)-3-(4-methoxyphenyl)thiirane-2-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102346179
3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
CID 102512001
3-[(3S)-3-[(4-methoxyphenyl)methylsulfanyl]hexanoyl]-1,3-oxazolidin-2-one
CID 122382984
(4S)-4-benzyl-3-[(2R)-3-(4-methoxyphenyl)-2-methyl-3-thiophen-2-ylpropanoyl]-1,3-oxazolidin-2-one
CID 134839468
3-[(3S)-3-[(4-methoxyphenyl)methylsulfanyl]nonanoyl]-1,3-oxazolidin-2-one
CID 134999258
3-[(3S)-3-[(4-methoxyphenyl)methylsulfanyl]decanoyl]-1,3-oxazolidin-2-one
CID 134999259
3-[(3S)-3-[(4-methoxyphenyl)methylsulfanyl]octanoyl]-1,3-oxazolidin-2-one
CID 135000818
[4-(4-Methoxyphenyl)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl] thiocyanate
CID 135079855
3-[2-(4-Methoxyphenyl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 166438672
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 133788897
2-(4-(Isopropylthio)phenyl)-1-(3-(4-methoxyphenyl)pyrrolidin-1-yl)ethanone
CID 45555467

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene?
The IUPAC name of 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene (CID 143665503) is 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene.
What is the SMILES notation for 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene?
The canonical SMILES for 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene is COc1ccc2c(c1)SCC2CC(=O)N1CCOC1=O.Cc1ccccc1.
What is the InChIKey of 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene?
The InChIKey is ULRLSTZNCSDTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S.C7H8/c1-18-10-2-3-11-9(8-20-12(11)7-10)6-13(16)15-4-5-19-14(15)17;1-7-5-3-2-4-6-7/h2-3,7,9H,4-6,8H2,1H3;2-6H,1H3.
What are the key properties of 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene?
3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene has a molecular weight of 385.49 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetyl]-1,3-oxazolidin-2-one;toluene is sourced from PubChem (CID 143665503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).