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

C20H18N2O5S — CID 22382129

IUPACN-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc2c(cc1N(C(C)=O)C(C)=O)S(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O5S/c1-11(23)21(12(2)24)17-9-16-15-7-5-6-8-19(15)28(27)20(16)10-18(17)22(13(3)25)14(4)26/h5-10H,1-4H3
InChIKeyZSTBQGKCLYRDHR-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.63
Rot. Bonds2

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

N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide (PubChem CID 22382129) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide
PubChem CID22382129
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC NameN-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1cc2c(cc1N(C(C)=O)C(C)=O)S(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O5S/c1-11(23)21(12(2)24)17-9-16-15-7-5-6-8-19(15)28(27)20(16)10-18(17)22(13(3)25)14(4)26/h5-10H,1-4H3
InChIKeyZSTBQGKCLYRDHR-UHFFFAOYSA-N
XLogP2.63
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide?
The IUPAC name of N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide (CID 22382129) is N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide?
The canonical SMILES for N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide is CC(=O)N(C(C)=O)c1cc2c(cc1N(C(C)=O)C(C)=O)S(=O)c1ccccc1-2.
What is the InChIKey of N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide?
The InChIKey is ZSTBQGKCLYRDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-11(23)21(12(2)24)17-9-16-15-7-5-6-8-19(15)28(27)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-oxodibenzothiophen-2-yl]acetamide?
N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide is sourced from PubChem (CID 22382129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).