N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide

C16H14N2O4S — CID 14918531

IUPACN-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)-c1ccc(NC(C)=O)cc1S2(=O)=O
InChIInChI=1S/C16H14N2O4S/c1-9(19)17-11-4-6-15-14(7-11)13-5-3-12(18-10(2)20)8-16(13)23(15,21)22/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeySCRCGVWGPVKSJU-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.42
Rot. Bonds2

About N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide

N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide (PubChem CID 14918531) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide
PubChem CID14918531
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)-c1ccc(NC(C)=O)cc1S2(=O)=O
InChIInChI=1S/C16H14N2O4S/c1-9(19)17-11-4-6-15-14(7-11)13-5-3-12(18-10(2)20)8-16(13)23(15,21)22/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeySCRCGVWGPVKSJU-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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Frequently Asked Questions

What is the IUPAC name of N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide?
The IUPAC name of N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide (CID 14918531) is N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide.
What is the SMILES notation for N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide?
The canonical SMILES for N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide is CC(=O)Nc1ccc2c(c1)-c1ccc(NC(C)=O)cc1S2(=O)=O.
What is the InChIKey of N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide?
The InChIKey is SCRCGVWGPVKSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-9(19)17-11-4-6-15-14(7-11)13-5-3-12(18-10(2)20)8-16(13)23(15,21)22/h3-8H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(7-acetamido-5,5-dioxodibenzothiophen-2-yl)acetamide?
N-(7-acetamido-5,5-dioxodibenzothiophen-2-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-2-yl)acetamide is sourced from PubChem (CID 14918531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).