N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide

C18H13N3O2S — CID 8512010

IUPACN-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H13N3O2S/c22-17(11-24-18-19-8-3-9-20-18)21-12-6-7-16-14(10-12)13-4-1-2-5-15(13)23-16/h1-10H,11H2,(H,21,22)
InChIKeyQZUCRVOCMQMDEC-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.11
Rot. Bonds4

About N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide

N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 8512010) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID8512010
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC NameN-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H13N3O2S/c22-17(11-24-18-19-8-3-9-20-18)21-12-6-7-16-14(10-12)13-4-1-2-5-15(13)23-16/h1-10H,11H2,(H,21,22)
InChIKeyQZUCRVOCMQMDEC-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55685179
N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2943904
N-dibenzofuran-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8569408
N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8548338
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-dibenzofuran-2-ylacetamide
CID 9347413
N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2535856
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 5199579
N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 38113570
N-dibenzofuran-2-yl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8519906
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797
2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide
CID 17416741

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide (CID 8512010) is N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is QZUCRVOCMQMDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17(11-24-18-19-8-3-9-20-18)21-12-6-7-16-14(10-12)13-4-1-2-5-15(13)23-16/h1-10H,11H2,(H,21,22).
What are the key properties of N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide?
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 335.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 8512010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).