2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide

C16H15N3OS — CID 801282

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
SMILESCn1ccnc1SCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H15N3OS/c1-19-9-8-17-16(19)21-11-15(20)18-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyNANYXLFYMGXFIW-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.30
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 801282) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
PubChem CID801282
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
SMILESCn1ccnc1SCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H15N3OS/c1-19-9-8-17-16(19)21-11-15(20)18-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyNANYXLFYMGXFIW-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 935780
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 2813255
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
2-((1-(2,5-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 7150916
N-(4-acetylphenyl)-2-{[1-(2-phenylethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
CID 575169
N-benzyl-2-[(1-benzyl-1H-imidazol-2-yl)thio]acetamide
CID 749672
2-(1-Methyl-1H-imidazol-2-ylsulfanyl)-N-phenyl-acetamide
CID 3142098
N-(3,5-dimethylphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide
CID 866679
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide (CID 801282) is 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide is Cn1ccnc1SCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is NANYXLFYMGXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-19-9-8-17-16(19)21-11-15(20)18-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide has a molecular weight of 297.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 801282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).