N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide

C19H14N2O2S — CID 592486

IUPACN-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H14N2O2S/c22-18(12-24-19-7-3-4-10-20-19)21-13-8-9-15-14-5-1-2-6-16(14)23-17(15)11-13/h1-11H,12H2,(H,21,22)
InChIKeyWBLFHWXWXNSAHZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.71
Rot. Bonds4

About N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide

N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide (PubChem CID 592486) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide
PubChem CID592486
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H14N2O2S/c22-18(12-24-19-7-3-4-10-20-19)21-13-8-9-15-14-5-1-2-6-16(14)23-17(15)11-13/h1-11H,12H2,(H,21,22)
InChIKeyWBLFHWXWXNSAHZ-UHFFFAOYSA-N
XLogP4.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide (CID 592486) is N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is WBLFHWXWXNSAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18(12-24-19-7-3-4-10-20-19)21-13-8-9-15-14-5-1-2-6-16(14)23-17(15)11-13/h1-11H,12H2,(H,21,22).
What are the key properties of N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide?
N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 334.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 592486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).