3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide

C16H17N3OS — CID 126151317

IUPAC3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
SMILESCc1ccc(SCCC(=O)N/N=C\c2ccccn2)cc1
InChIInChI=1S/C16H17N3OS/c1-13-5-7-15(8-6-13)21-11-9-16(20)19-18-12-14-4-2-3-10-17-14/h2-8,10,12H,9,11H2,1H3,(H,19,20)/b18-12-
InChIKeyPAJRLALOBUGWSS-PDGQHHTCSA-N
MW299.40 g/mol
LogP3.02
Rot. Bonds6

About 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide

3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide (PubChem CID 126151317) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
PubChem CID126151317
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
SMILESCc1ccc(SCCC(=O)N/N=C\c2ccccn2)cc1
InChIInChI=1S/C16H17N3OS/c1-13-5-7-15(8-6-13)21-11-9-16(20)19-18-12-14-4-2-3-10-17-14/h2-8,10,12H,9,11H2,1H3,(H,19,20)/b18-12-
InChIKeyPAJRLALOBUGWSS-PDGQHHTCSA-N
XLogP3.02
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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'}

Analyze 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide 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

3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethylideneamino)propanamide
CID 958832
3-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 2531077
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
2-[(Z)-[3-(4-methylphenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid
CID 126147425
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126137795
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126135356
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 123310795
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
3-(4-methylphenyl)sulfanyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 126126523
2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethylideneamino)acetamide
CID 1414553

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide (CID 126151317) is 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide is Cc1ccc(SCCC(=O)N/N=C\c2ccccn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The InChIKey is PAJRLALOBUGWSS-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-13-5-7-15(8-6-13)21-11-9-16(20)19-18-12-14-4-2-3-10-17-14/h2-8,10,12H,9,11H2,1H3,(H,19,20)/b18-12-.
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide has a molecular weight of 299.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide is sourced from PubChem (CID 126151317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).