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

C16H15N3OS — CID 709682

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCn1ccnc1SCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H15N3OS/c1-19-10-9-17-16(19)21-11-15(20)18-14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyDOMNEGVPSIUZGT-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.30
Rot. Bonds4

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

2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 709682) 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-1-ylacetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID709682
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCn1ccnc1SCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H15N3OS/c1-19-10-9-17-16(19)21-11-15(20)18-14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyDOMNEGVPSIUZGT-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-(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-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
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(1-methyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-ethanone
CID 1169875
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494
2-[1-(1-naphthyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275154

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 709682) is 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is Cn1ccnc1SCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is DOMNEGVPSIUZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-19-10-9-17-16(19)21-11-15(20)18-14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-naphthalen-1-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-1-ylacetamide is sourced from PubChem (CID 709682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).