N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide

C16H14N2O4S — CID 747423

IUPACN-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1-2
InChIInChI=1S/C16H14N2O4S/c1-9(19)17-11-3-5-13-14-6-4-12(18-10(2)20)8-16(14)23(21,22)15(13)7-11/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyKMSQUZFCACYIFA-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.42
Rot. Bonds2

About N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide

N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide (PubChem CID 747423) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide
PubChem CID747423
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1-2
InChIInChI=1S/C16H14N2O4S/c1-9(19)17-11-3-5-13-14-6-4-12(18-10(2)20)8-16(14)23(21,22)15(13)7-11/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyKMSQUZFCACYIFA-UHFFFAOYSA-N
XLogP2.42
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid
CID 5282250
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-acetamide
CID 14918530
4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid
CID 34025
3,7-Diaminodibenzothiophene-5,5-dioxide
CID 80412
Disodium 5-acetamido-2-(2-(4-isothiocyanato-2-sulphonatophenyl)vinyl)benzenesulphonate
CID 5702774
6-Acetamido-2-sulfamoylbenzo[b]thiophene
CID 14390577
Acetamide, N-3-dibenzothienyl-
CID 116464
Benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-, sodium salt (1:2)
CID 170953
N-(4-isopropylphenyl)-1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxamide
CID 15989018
N-(4-(2-Cyano-2-((4-methylphenyl)sulfonyl)vinyl)phenyl)ethanamide
CID 2063376
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 4799260
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-propionamide
CID 9971294

Frequently Asked Questions

What is the IUPAC name of N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide?
The IUPAC name of N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide (CID 747423) is N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide.
What is the SMILES notation for N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide?
The canonical SMILES for N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide is CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1-2.
What is the InChIKey of N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide?
The InChIKey is KMSQUZFCACYIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-9(19)17-11-3-5-13-14-6-4-12(18-10(2)20)8-16(14)23(21,22)15(13)7-11/h3-8H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide?
N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide has a molecular weight of 330.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetamido-5,5-dioxodibenzothiophen-3-yl)acetamide is sourced from PubChem (CID 747423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).