N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide

C17H15N3OS — CID 719482

IUPACN-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1
InChIInChI=1S/C17H15N3OS/c1-12(21)18-14-7-9-15(10-8-14)20-11-16(19-17(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)(H,19,22)
InChIKeyZCUQXYLNTJAWPQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.16
Rot. Bonds3

About N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide

N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide (PubChem CID 719482) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
PubChem CID719482
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1
InChIInChI=1S/C17H15N3OS/c1-12(21)18-14-7-9-15(10-8-14)20-11-16(19-17(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)(H,19,22)
InChIKeyZCUQXYLNTJAWPQ-UHFFFAOYSA-N
XLogP4.16
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
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-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide (CID 719482) is N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1.
What is the InChIKey of N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The InChIKey is ZCUQXYLNTJAWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12(21)18-14-7-9-15(10-8-14)20-11-16(19-17(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide has a molecular weight of 309.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 719482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).