2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide

C16H18N2OS2 — CID 6876912

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(CSCC(=O)N/N=C/c2sccc2C)cc1
InChIInChI=1S/C16H18N2OS2/c1-12-3-5-14(6-4-12)10-20-11-16(19)18-17-9-15-13(2)7-8-21-15/h3-9H,10-11H2,1-2H3,(H,18,19)/b17-9+
InChIKeyHZEUBQRRTOFTQI-RQZCQDPDSA-N
MW318.47 g/mol
LogP3.75
Rot. Bonds6

About 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 6876912) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID6876912
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccc(CSCC(=O)N/N=C/c2sccc2C)cc1
InChIInChI=1S/C16H18N2OS2/c1-12-3-5-14(6-4-12)10-20-11-16(19)18-17-9-15-13(2)7-8-21-15/h3-9H,10-11H2,1-2H3,(H,18,19)/b17-9+
InChIKeyHZEUBQRRTOFTQI-RQZCQDPDSA-N
XLogP3.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 6876912) is 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccc(CSCC(=O)N/N=C/c2sccc2C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is HZEUBQRRTOFTQI-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-12-3-5-14(6-4-12)10-20-11-16(19)18-17-9-15-13(2)7-8-21-15/h3-9H,10-11H2,1-2H3,(H,18,19)/b17-9+.
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 318.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6876912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).