2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide

C18H16N2OS — CID 859481

IUPAC2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESNc1ccccc1SCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H16N2OS/c19-15-9-3-4-11-17(15)22-12-18(21)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12,19H2,(H,20,21)
InChIKeyAXPAOGUFYLVVGV-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.15
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide

2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 859481) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID859481
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESNc1ccccc1SCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H16N2OS/c19-15-9-3-4-11-17(15)22-12-18(21)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12,19H2,(H,20,21)
InChIKeyAXPAOGUFYLVVGV-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Methylsulfanyl)phenyl]-3-naphthalen-1-ylurea
CID 24819511
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ST032473
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N-naphthalen-2-yl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
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Acetamide, N-(1-naphthyl)-2-phenylthio-
CID 532048
N-(2,3-dimethylphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
CID 2870191
N-2-naphthyl-2-(2-thienylthio)acetamide
CID 886920
N-2-biphenylyl-2-[(2-methylbenzyl)thio]acetamide
CID 893736
N-(2-phenylphenyl)-2-phenylsulfanylacetamide
CID 2107916
2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 2124005
2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
CID 2942740
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CID 777936

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide (CID 859481) is 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide is Nc1ccccc1SCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is AXPAOGUFYLVVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c19-15-9-3-4-11-17(15)22-12-18(21)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12,19H2,(H,20,21).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 308.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 859481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).