4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide

C20H17N3OS — CID 5412791

IUPAC4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccn1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H17N3OS/c24-20(23-22-14-18-6-4-5-13-21-18)17-11-9-16(10-12-17)15-25-19-7-2-1-3-8-19/h1-14H,15H2,(H,23,24)/b22-14-
InChIKeyGSSYUGCCPUGPQD-HMAPJEAMSA-N
MW347.44 g/mol
LogP4.14
Rot. Bonds6

About 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide

4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 5412791) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID5412791
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccn1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H17N3OS/c24-20(23-22-14-18-6-4-5-13-21-18)17-11-9-16(10-12-17)15-25-19-7-2-1-3-8-19/h1-14H,15H2,(H,23,24)/b22-14-
InChIKeyGSSYUGCCPUGPQD-HMAPJEAMSA-N
XLogP4.14
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.14
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 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide 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

4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
4-[(4-chlorophenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 9408946
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(phenylsulfanylmethyl)benzamide
CID 137172347
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4658290
4-(phenylsulfanylmethyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6182801
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4-(phenylsulfanylmethyl)benzamide
CID 92851030
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
2-benzamido-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4111465
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethylideneamino)benzamide
CID 3947692
N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 94837906
4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 118730249

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide (CID 5412791) is 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide is O=C(N/N=C\c1ccccn1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is GSSYUGCCPUGPQD-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-20(23-22-14-18-6-4-5-13-21-18)17-11-9-16(10-12-17)15-25-19-7-2-1-3-8-19/h1-14H,15H2,(H,23,24)/b22-14-.
What are the key properties of 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 347.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5412791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).