N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide

C18H15N3O2S — CID 2943904

IUPACN-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C18H15N3O2S/c1-21-9-8-19-18(21)24-11-17(22)20-12-6-7-14-13-4-2-3-5-15(13)23-16(14)10-12/h2-10H,11H2,1H3,(H,20,22)
InChIKeyWKNFVQKEYOTGEE-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.05
Rot. Bonds4

About N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 2943904) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID2943904
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C18H15N3O2S/c1-21-9-8-19-18(21)24-11-17(22)20-12-6-7-14-13-4-2-3-5-15(13)23-16(14)10-12/h2-10H,11H2,1H3,(H,20,22)
InChIKeyWKNFVQKEYOTGEE-UHFFFAOYSA-N
XLogP4.05
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 38113570
N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55685179
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55693260
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-methyl-3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide
CID 24620396
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2945851
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 23987303
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 683122

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 2943904) is N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is WKNFVQKEYOTGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-21-9-8-19-18(21)24-11-17(22)20-12-6-7-14-13-4-2-3-5-15(13)23-16(14)10-12/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 337.40 g/mol, XLogP of 4.05, 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-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 2943904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).