N-(8-acetamidodibenzothiophen-2-yl)acetamide

C16H14N2O2S — CID 1107285

IUPACN-(8-acetamidodibenzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2sc3ccc(NC(C)=O)cc3c2c1
InChIInChI=1S/C16H14N2O2S/c1-9(19)17-11-3-5-15-13(7-11)14-8-12(18-10(2)20)4-6-16(14)21-15/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyJWKUMALFCRFNFT-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.97
Rot. Bonds2

About N-(8-acetamidodibenzothiophen-2-yl)acetamide

N-(8-acetamidodibenzothiophen-2-yl)acetamide (PubChem CID 1107285) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(8-acetamidodibenzothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-acetamidodibenzothiophen-2-yl)acetamide
PubChem CID1107285
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(8-acetamidodibenzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2sc3ccc(NC(C)=O)cc3c2c1
InChIInChI=1S/C16H14N2O2S/c1-9(19)17-11-3-5-15-13(7-11)14-8-12(18-10(2)20)4-6-16(14)21-15/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyJWKUMALFCRFNFT-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-acetamidodibenzothiophen-2-yl)acetamide?
The IUPAC name of N-(8-acetamidodibenzothiophen-2-yl)acetamide (CID 1107285) is N-(8-acetamidodibenzothiophen-2-yl)acetamide.
What is the SMILES notation for N-(8-acetamidodibenzothiophen-2-yl)acetamide?
The canonical SMILES for N-(8-acetamidodibenzothiophen-2-yl)acetamide is CC(=O)Nc1ccc2sc3ccc(NC(C)=O)cc3c2c1.
What is the InChIKey of N-(8-acetamidodibenzothiophen-2-yl)acetamide?
The InChIKey is JWKUMALFCRFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-9(19)17-11-3-5-15-13(7-11)14-8-12(18-10(2)20)4-6-16(14)21-15/h3-8H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(8-acetamidodibenzothiophen-2-yl)acetamide?
N-(8-acetamidodibenzothiophen-2-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetamidodibenzothiophen-2-yl)acetamide is sourced from PubChem (CID 1107285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).