2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide

C18H20N2OS2 — CID 42554221

IUPAC2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CC1(C)SCCS1)c1cccc2ccccc12
InChIInChI=1S/C18H20N2OS2/c1-13(15-9-5-7-14-6-3-4-8-16(14)15)19-20-17(21)12-18(2)22-10-11-23-18/h3-9H,10-12H2,1-2H3,(H,20,21)/b19-13+
InChIKeyFMDUTUQTKNMJHN-CPNJWEJPSA-N
MW344.50 g/mol
LogP4.27
Rot. Bonds4

About 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide

2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide (PubChem CID 42554221) has the molecular formula C18H20N2OS2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide
PubChem CID42554221
Molecular FormulaC18H20N2OS2
Molecular Weight344.50 g/mol
Exact Mass344.10
IUPAC Name2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CC1(C)SCCS1)c1cccc2ccccc12
InChIInChI=1S/C18H20N2OS2/c1-13(15-9-5-7-14-6-3-4-8-16(14)15)19-20-17(21)12-18(2)22-10-11-23-18/h3-9H,10-12H2,1-2H3,(H,20,21)/b19-13+
InChIKeyFMDUTUQTKNMJHN-CPNJWEJPSA-N
XLogP4.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.27
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-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide?
The IUPAC name of 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide (CID 42554221) is 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide is C/C(=N\NC(=O)CC1(C)SCCS1)c1cccc2ccccc12.
What is the InChIKey of 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide?
The InChIKey is FMDUTUQTKNMJHN-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-13(15-9-5-7-14-6-3-4-8-16(14)15)19-20-17(21)12-18(2)22-10-11-23-18/h3-9H,10-12H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide?
2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide has a molecular weight of 344.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dithiolan-2-yl)-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide is sourced from PubChem (CID 42554221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).