2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide

C21H14N2O2S2 — CID 2940955

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C21H14N2O2S2/c24-20(12-26-21-23-16-6-2-4-8-19(16)27-21)22-13-9-10-15-14-5-1-3-7-17(14)25-18(15)11-13/h1-11H,12H2,(H,22,24)
InChIKeySWFPGZAOTJZNSF-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.93
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide (PubChem CID 2940955) has the molecular formula C21H14N2O2S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
PubChem CID2940955
Molecular FormulaC21H14N2O2S2
Molecular Weight390.49 g/mol
Exact Mass390.05
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C21H14N2O2S2/c24-20(12-26-21-23-16-6-2-4-8-19(16)27-21)22-13-9-10-15-14-5-1-3-7-17(14)25-18(15)11-13/h1-11H,12H2,(H,22,24)
InChIKeySWFPGZAOTJZNSF-UHFFFAOYSA-N
XLogP5.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide (CID 2940955) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide is O=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide?
The InChIKey is SWFPGZAOTJZNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2S2/c24-20(12-26-21-23-16-6-2-4-8-19(16)27-21)22-13-9-10-15-14-5-1-3-7-17(14)25-18(15)11-13/h1-11H,12H2,(H,22,24).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide has a molecular weight of 390.49 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide is sourced from PubChem (CID 2940955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).