N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C17H18N2OS — CID 5393530

IUPACN-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)N/N=C\c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-14-7-5-6-10-16(14)12-21-13-17(20)19-18-11-15-8-3-2-4-9-15/h2-11H,12-13H2,1H3,(H,19,20)/b18-11-
InChIKeyDVUZTGFJYSDTEH-WQRHYEAKSA-N
MW298.41 g/mol
LogP3.38
Rot. Bonds6

About N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 5393530) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID5393530
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)N/N=C\c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-14-7-5-6-10-16(14)12-21-13-17(20)19-18-11-15-8-3-2-4-9-15/h2-11H,12-13H2,1H3,(H,19,20)/b18-11-
InChIKeyDVUZTGFJYSDTEH-WQRHYEAKSA-N
XLogP3.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.38
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'}

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Related Compounds

N-[(4-fluorophenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 758345
2-[(2-methylphenyl)methylsulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6288693
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 5396407
2-[(2-methylphenyl)methylsulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 6091619
2-[(2-methylphenyl)methylsulfanyl]-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 689763
tert-butyl 2-[4-[[[2-[(2-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 5131179
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
CID 2247274
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663638
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5029801
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 95989152
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 5393530) is N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)N/N=C\c1ccccc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is DVUZTGFJYSDTEH-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-14-7-5-6-10-16(14)12-21-13-17(20)19-18-11-15-8-3-2-4-9-15/h2-11H,12-13H2,1H3,(H,19,20)/b18-11-.
What are the key properties of N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 298.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 5393530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).