N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

C17H17N3O2S — CID 894506

IUPACN-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C17H17N3O2S/c1-20-15(13-6-3-2-4-7-13)11-19-17(20)23-12-16(21)18-10-14-8-5-9-22-14/h2-9,11H,10,12H2,1H3,(H,18,21)
InChIKeyXWGGRWMNOYKCQL-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.09
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 894506) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID894506
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C17H17N3O2S/c1-20-15(13-6-3-2-4-7-13)11-19-17(20)23-12-16(21)18-10-14-8-5-9-22-14/h2-9,11H,10,12H2,1H3,(H,18,21)
InChIKeyXWGGRWMNOYKCQL-UHFFFAOYSA-N
XLogP3.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (CID 894506) is N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is XWGGRWMNOYKCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20-15(13-6-3-2-4-7-13)11-19-17(20)23-12-16(21)18-10-14-8-5-9-22-14/h2-9,11H,10,12H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 327.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 894506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).