N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide

C16H17N3OS — CID 5424413

IUPACN-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESC/C(=N/NC(=O)CSc1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C16H17N3OS/c1-12-6-8-14(9-7-12)13(2)18-19-15(20)11-21-16-5-3-4-10-17-16/h3-10H,11H2,1-2H3,(H,19,20)/b18-13-
InChIKeyHXYXJNVBJUBGCF-AQTBWJFISA-N
MW299.40 g/mol
LogP3.02
Rot. Bonds5

About N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 5424413) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID5424413
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESC/C(=N/NC(=O)CSc1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C16H17N3OS/c1-12-6-8-14(9-7-12)13(2)18-19-15(20)11-21-16-5-3-4-10-17-16/h3-10H,11H2,1-2H3,(H,19,20)/b18-13-
InChIKeyHXYXJNVBJUBGCF-AQTBWJFISA-N
XLogP3.02
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.02
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'}

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Related Compounds

N-(1-naphthalen-2-ylethylideneamino)-2-pyridin-2-ylsulfanylacetamide
CID 948086
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]acetamide
CID 6372520
2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 6374018
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetamide
CID 135650829
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4505353
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 4195477
2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]acetamide
CID 6370792

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 5424413) is N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide is C/C(=N/NC(=O)CSc1ccccn1)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is HXYXJNVBJUBGCF-AQTBWJFISA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12-6-8-14(9-7-12)13(2)18-19-15(20)11-21-16-5-3-4-10-17-16/h3-10H,11H2,1-2H3,(H,19,20)/b18-13-.
What are the key properties of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 299.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 5424413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).