N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide

C19H17N3OS — CID 948086

IUPACN-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(=NNC(=O)CSc1ccccn1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3OS/c1-14(16-10-9-15-6-2-3-7-17(15)12-16)21-22-18(23)13-24-19-8-4-5-11-20-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyKPTCPDHZZUXLSP-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.87
Rot. Bonds5

About N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide

N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 948086) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide
PubChem CID948086
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(=NNC(=O)CSc1ccccn1)c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3OS/c1-14(16-10-9-15-6-2-3-7-17(15)12-16)21-22-18(23)13-24-19-8-4-5-11-20-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyKPTCPDHZZUXLSP-UHFFFAOYSA-N
XLogP3.87
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424413
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 6292027
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636
2-indol-1-yl-N-(1-naphthalen-2-ylethylideneamino)acetamide
CID 3659889
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthalen-2-ylethylideneamino)acetamide
CID 4527896
2-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-4-carboxamide
CID 174219694
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide (CID 948086) is N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide is CC(=NNC(=O)CSc1ccccn1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is KPTCPDHZZUXLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-14(16-10-9-15-6-2-3-7-17(15)12-16)21-22-18(23)13-24-19-8-4-5-11-20-19/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide?
N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 335.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 948086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).