N-(5,5-dioxodibenzothiophen-2-yl)acetamide

C14H11NO3S — CID 14918530

IUPACN-(5,5-dioxodibenzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C14H11NO3S/c1-9(16)15-10-6-7-14-12(8-10)11-4-2-3-5-13(11)19(14,17)18/h2-8H,1H3,(H,15,16)
InChIKeyYNQPZBJSVWSESM-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.46
Rot. Bonds1

About N-(5,5-dioxodibenzothiophen-2-yl)acetamide

N-(5,5-dioxodibenzothiophen-2-yl)acetamide (PubChem CID 14918530) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(5,5-dioxodibenzothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5,5-dioxodibenzothiophen-2-yl)acetamide
PubChem CID14918530
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC NameN-(5,5-dioxodibenzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C14H11NO3S/c1-9(16)15-10-6-7-14-12(8-10)11-4-2-3-5-13(11)19(14,17)18/h2-8H,1H3,(H,15,16)
InChIKeyYNQPZBJSVWSESM-UHFFFAOYSA-N
XLogP2.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-5-yl)acetamide
CID 3290886
5,5-Dioxo-2-aminodibenzothiophene
CID 14918529
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-(4-((4-methylphenyl)sulfonyl)phenyl)acetamide
CID 272502
Benzenesulfonyl chloride, 4-(acetylamino)-2-methyl-
CID 112838
2-((1,1-dioxidobenzo[d]isothiazol-3-yl)thio)-N-(3-ethylphenyl)acetamide
CID 9551294
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-formamide
CID 10244297
N-(3,5-dimethylphenyl)-2-(phenylsulfonyl)acetamide
CID 892534
N,N'-(5,5-dioxidodibenzo[b,d]thiene-3,7-diyl)diacetamide
CID 747423
N-(5,5-dioxodibenzothiophen-2-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10690586
N-[3-Methyl-4-(methylsulfonyl)phenyl]acetamide
CID 604023

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)acetamide?
The IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)acetamide (CID 14918530) is N-(5,5-dioxodibenzothiophen-2-yl)acetamide.
What is the SMILES notation for N-(5,5-dioxodibenzothiophen-2-yl)acetamide?
The canonical SMILES for N-(5,5-dioxodibenzothiophen-2-yl)acetamide is CC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O.
What is the InChIKey of N-(5,5-dioxodibenzothiophen-2-yl)acetamide?
The InChIKey is YNQPZBJSVWSESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-9(16)15-10-6-7-14-12(8-10)11-4-2-3-5-13(11)19(14,17)18/h2-8H,1H3,(H,15,16).
What are the key properties of N-(5,5-dioxodibenzothiophen-2-yl)acetamide?
N-(5,5-dioxodibenzothiophen-2-yl)acetamide has a molecular weight of 273.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxodibenzothiophen-2-yl)acetamide is sourced from PubChem (CID 14918530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).