N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide

C19H17N3O2S — CID 3080492

IUPACN-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
SMILESCN(C(=O)CSc1ncc[nH]1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c1-22(17(23)13-25-19-20-11-12-21-19)16-10-6-5-9-15(16)18(24)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21)
InChIKeyMGHYAYRSORBFGJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.40
Rot. Bonds6

About N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide

N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide (PubChem CID 3080492) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
PubChem CID3080492
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide
SMILESCN(C(=O)CSc1ncc[nH]1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c1-22(17(23)13-25-19-20-11-12-21-19)16-10-6-5-9-15(16)18(24)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21)
InChIKeyMGHYAYRSORBFGJ-UHFFFAOYSA-N
XLogP3.40
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide (CID 3080492) is N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide is CN(C(=O)CSc1ncc[nH]1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide?
The InChIKey is MGHYAYRSORBFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-22(17(23)13-25-19-20-11-12-21-19)16-10-6-5-9-15(16)18(24)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21).
What are the key properties of N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide?
N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide has a molecular weight of 351.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide is sourced from PubChem (CID 3080492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).