N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C20H17N3O2S — CID 55685179

IUPACN-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C20H17N3O2S/c1-12-9-13(2)22-20(21-12)26-11-19(24)23-14-7-8-16-15-5-3-4-6-17(15)25-18(16)10-14/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyXVJLTDQMVSLFSX-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.72
Rot. Bonds4

About N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 55685179) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID55685179
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C20H17N3O2S/c1-12-9-13(2)22-20(21-12)26-11-19(24)23-14-7-8-16-15-5-3-4-6-17(15)25-18(16)10-14/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyXVJLTDQMVSLFSX-UHFFFAOYSA-N
XLogP4.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2943904
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
N-(3,4-dibromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 3919820
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 38113570
2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-N-methylacetamide
CID 36544300
N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
potassium 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 44889725
2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 55835896

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 55685179) is N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is XVJLTDQMVSLFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-9-13(2)22-20(21-12)26-11-19(24)23-14-7-8-16-15-5-3-4-6-17(15)25-18(16)10-14/h3-10H,11H2,1-2H3,(H,23,24).
What are the key properties of N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 363.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 55685179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).