N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide

C21H16BrN3OS — CID 45269371

IUPACN-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1Br
InChIInChI=1S/C21H16BrN3OS/c22-17-9-3-4-10-18(17)24-20(26)14-27-21-23-12-13-25(21)19-11-5-7-15-6-1-2-8-16(15)19/h1-13H,14H2,(H,24,26)
InChIKeyALGAPIRVUZCFLU-UHFFFAOYSA-N
MW438.35 g/mol
LogP5.52
Rot. Bonds5

About N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide

N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide (PubChem CID 45269371) has the molecular formula C21H16BrN3OS and a molecular weight of 438.35 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
PubChem CID45269371
Molecular FormulaC21H16BrN3OS
Molecular Weight438.35 g/mol
Exact Mass437.02
IUPAC NameN-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1Br
InChIInChI=1S/C21H16BrN3OS/c22-17-9-3-4-10-18(17)24-20(26)14-27-21-23-12-13-25(21)19-11-5-7-15-6-1-2-8-16(15)19/h1-13H,14H2,(H,24,26)
InChIKeyALGAPIRVUZCFLU-UHFFFAOYSA-N
XLogP5.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.35
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide
CID 866679
2-[1-(1-naphthyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275154
2-[(1-methyl-1H-imidazol-2-yl)thio]-N-2-naphthylacetamide
CID 801282
2-{[4-(4-bromophenyl)-1-(2-methylphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide
CID 2816896
2-(1-methylimidazol-2-ylthio)-N-naphthylbutanamide
CID 3132099
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 4140078
2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)-N-(naphthalen-1-yl)acetamide
CID 4179539
2-{[1-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
CID 5190525
N-(2-chlorophenyl)-2-[1-(1-naphthyl)imidazol-2-yl]sulfanyl-acetamide
CID 44596229
N-(2-bromo-4-methyl-phenyl)-2-[1-(1-naphthyl)imidazol-2-yl]sulfanyl-acetamide
CID 45271901
2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 709682
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 4085691

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide (CID 45269371) is N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide?
The InChIKey is ALGAPIRVUZCFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3OS/c22-17-9-3-4-10-18(17)24-20(26)14-27-21-23-12-13-25(21)19-11-5-7-15-6-1-2-8-16(15)19/h1-13H,14H2,(H,24,26).
What are the key properties of N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide?
N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide has a molecular weight of 438.35 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 45269371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).