2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide

C18H17N3O2S — CID 866704

IUPAC2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H17N3O2S/c1-23-16-9-5-8-15(12-16)21-11-10-19-18(21)24-13-17(22)20-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,22)
InChIKeyOXJFASZUFXGHOO-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.61
Rot. Bonds6

About 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 866704) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
PubChem CID866704
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H17N3O2S/c1-23-16-9-5-8-15(12-16)21-11-10-19-18(21)24-13-17(22)20-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,22)
InChIKeyOXJFASZUFXGHOO-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide (CID 866704) is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide is COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is OXJFASZUFXGHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-16-9-5-8-15(12-16)21-11-10-19-18(21)24-13-17(22)20-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,22).
What are the key properties of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 866704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).