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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Related Compounds

tert-butyl 4-[2-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)acetyl]piperazine-1-carboxylate
CID 24965386
3-[(2-methoxyphenyl)methyl]-5-phenyl-1H-imidazole-2-thione
CID 24964672
2-(2,5-dimethylpyrrol-1-yl)-N,N-diethylacetamide
CID 110688830
2-(5-amino-2-oxo-1-pyridinyl)-N-benzyl-N-ethylacetamide
CID 62816164
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
ethyl 1-[2-(diethylamino)-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 6623015
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[2-(4-aminophenyl)-4-methylimidazol-1-yl]-N,N-diethylacetamide
CID 83971194
5-bromo-1-[2-(diethylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79113233
3-[ethyl-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]amino]propanoic acid
CID 119191067
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526

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).