N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide

C17H18N2OS — CID 86037517

IUPACN-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide
SMILESCSCC(=NNC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18N2OS/c1-13-8-10-14(11-9-13)16(12-21-2)18-19-17(20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyCDYBSPHBAJMUHH-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.49
Rot. Bonds5

About N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide

N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide (PubChem CID 86037517) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide
PubChem CID86037517
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide
SMILESCSCC(=NNC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18N2OS/c1-13-8-10-14(11-9-13)16(12-21-2)18-19-17(20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyCDYBSPHBAJMUHH-UHFFFAOYSA-N
XLogP3.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]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-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91089657
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
2-[(2Z)-2-[(4-phenoxybenzoyl)hydrazinylidene]-2-phenylethyl]sulfanylacetic acid
CID 27876496
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409
4,6-dimethyl-N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]pyrimidin-2-amine
CID 141039400
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide?
The IUPAC name of N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide (CID 86037517) is N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide?
The canonical SMILES for N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide is CSCC(=NNC(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide?
The InChIKey is CDYBSPHBAJMUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13-8-10-14(11-9-13)16(12-21-2)18-19-17(20)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide?
N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide has a molecular weight of 298.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)-2-methylsulfanylethylidene]amino]benzamide is sourced from PubChem (CID 86037517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).