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

C15H13NO3S — CID 10401793

IUPACN-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C15H13NO3S/c1-10(17)16(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)20(15,18)19/h3-9H,1-2H3
InChIKeyODINQLHKEQEUBV-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.48
Rot. Bonds1

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

N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide (PubChem CID 10401793) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide
PubChem CID10401793
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC NameN-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C15H13NO3S/c1-10(17)16(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)20(15,18)19/h3-9H,1-2H3
InChIKeyODINQLHKEQEUBV-UHFFFAOYSA-N
XLogP2.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide?
The IUPAC name of N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide (CID 10401793) is N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide?
The canonical SMILES for N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide is CC(=O)N(C)c1ccc2c(c1)-c1ccccc1S2(=O)=O.
What is the InChIKey of N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide?
The InChIKey is ODINQLHKEQEUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-10(17)16(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)20(15,18)19/h3-9H,1-2H3.
What are the key properties of N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide?
N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide has a molecular weight of 287.34 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxodibenzothiophen-2-yl)-N-methylacetamide is sourced from PubChem (CID 10401793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).