N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide

C15H19N3OS — CID 24965387

IUPACN,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C15H19N3OS/c1-3-17(4-2)14(19)11-18-10-13(16-15(18)20)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,16,20)
InChIKeyOTZSGCWVTCSPCR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.08
Rot. Bonds5

About N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide

N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (PubChem CID 24965387) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
PubChem CID24965387
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2ccccc2)[nH]c1=S
InChIInChI=1S/C15H19N3OS/c1-3-17(4-2)14(19)11-18-10-13(16-15(18)20)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,16,20)
InChIKeyOTZSGCWVTCSPCR-UHFFFAOYSA-N
XLogP3.08
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide (CID 24965387) is N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is CCN(CC)C(=O)Cn1cc(-c2ccccc2)[nH]c1=S.
What is the InChIKey of N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
The InChIKey is OTZSGCWVTCSPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-17(4-2)14(19)11-18-10-13(16-15(18)20)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,16,20).
What are the key properties of N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide?
N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide is sourced from PubChem (CID 24965387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).