N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

C14H12ClN3OS — CID 749023

IUPACN-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3OS/c15-12-6-4-11(5-7-12)9-17-18-13(19)10-20-14-3-1-2-8-16-14/h1-9H,10H2,(H,18,19)
InChIKeyVXRHBEYESDDEAN-UHFFFAOYSA-N
MW305.79 g/mol
LogP2.98
Rot. Bonds5

About N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 749023) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID749023
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3OS/c15-12-6-4-11(5-7-12)9-17-18-13(19)10-20-14-3-1-2-8-16-14/h1-9H,10H2,(H,18,19)
InChIKeyVXRHBEYESDDEAN-UHFFFAOYSA-N
XLogP2.98
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.98
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-[(4-chlorophenyl)methylideneamino]-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)-[4-(diethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400523
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 135558905
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400526
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6870598
2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethylideneamino)acetamide
CID 749028
2-pyridin-2-ylsulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5400534
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
2-pyridin-2-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5331422
N-[(E)-furan-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6870596
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088
N-[(E)-benzylideneamino]-4-pyridin-2-ylsulfanylbutanamide
CID 134125900

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 749023) is N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is VXRHBEYESDDEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-12-6-4-11(5-7-12)9-17-18-13(19)10-20-14-3-1-2-8-16-14/h1-9H,10H2,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 305.79 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 749023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).