N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide

C20H18N2O6S — CID 22382096

IUPACN-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc2c(cc1N(C(C)=O)C(C)=O)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O6S/c1-11(23)21(12(2)24)17-9-16-15-7-5-6-8-19(15)29(27,28)20(16)10-18(17)22(13(3)25)14(4)26/h5-10H,1-4H3
InChIKeyYTDRWCLADPPPTD-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.30
Rot. Bonds2

About N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide

N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide (PubChem CID 22382096) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide
PubChem CID22382096
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC NameN-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc2c(cc1N(C(C)=O)C(C)=O)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O6S/c1-11(23)21(12(2)24)17-9-16-15-7-5-6-8-19(15)29(27,28)20(16)10-18(17)22(13(3)25)14(4)26/h5-10H,1-4H3
InChIKeyYTDRWCLADPPPTD-UHFFFAOYSA-N
XLogP2.30
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide?
The IUPAC name of N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide (CID 22382096) is N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide?
The canonical SMILES for N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide is CC(=O)N(C(C)=O)c1cc2c(cc1N(C(C)=O)C(C)=O)S(=O)(=O)c1ccccc1-2.
What is the InChIKey of N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide?
The InChIKey is YTDRWCLADPPPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-11(23)21(12(2)24)17-9-16-15-7-5-6-8-19(15)29(27,28)20(16)10-18(17)22(13(3)25)14(4)26/h5-10H,1-4H3.
What are the key properties of N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide?
N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide has a molecular weight of 414.44 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-(diacetylamino)-5,5-dioxodibenzothiophen-2-yl]acetamide is sourced from PubChem (CID 22382096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).