N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

C24H19N3O2S — CID 38113570

IUPACN-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H19N3O2S/c1-27-20(16-7-3-2-4-8-16)14-25-24(27)30-15-23(28)26-17-11-12-19-18-9-5-6-10-21(18)29-22(19)13-17/h2-14H,15H2,1H3,(H,26,28)
InChIKeyPUYRYHKAJCVZLH-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.72
Rot. Bonds5

About N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 38113570) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID38113570
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H19N3O2S/c1-27-20(16-7-3-2-4-8-16)14-25-24(27)30-15-23(28)26-17-11-12-19-18-9-5-6-10-21(18)29-22(19)13-17/h2-14H,15H2,1H3,(H,26,28)
InChIKeyPUYRYHKAJCVZLH-UHFFFAOYSA-N
XLogP5.72
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2943904
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 18569095
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510773
N-[2-methyl-5-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 1451070
N-(3-chloro-4-cyanophenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510800
N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55685179
N-(2,6-dichlorophenyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40510747
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 40518719
N-[(2-fluorophenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40680051
2-(1H-benzimidazol-2-ylsulfanyl)-N-dibenzofuran-3-ylacetamide
CID 2883797
N-(1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569195

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (CID 38113570) is N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is PUYRYHKAJCVZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-27-20(16-7-3-2-4-8-16)14-25-24(27)30-15-23(28)26-17-11-12-19-18-9-5-6-10-21(18)29-22(19)13-17/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 413.50 g/mol, XLogP of 5.72, 5 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-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 38113570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).