N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C17H17N3O2S — CID 7150886

IUPACN-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C17H17N3O2S/c1-13-5-2-3-7-15(13)20-9-8-18-17(20)23-12-16(21)19-11-14-6-4-10-22-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyDFURODGFSWATFY-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.18
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150886) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150886
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C17H17N3O2S/c1-13-5-2-3-7-15(13)20-9-8-18-17(20)23-12-16(21)19-11-14-6-4-10-22-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyDFURODGFSWATFY-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150886) is N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccccc1-n1ccnc1SCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is DFURODGFSWATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-13-5-2-3-7-15(13)20-9-8-18-17(20)23-12-16(21)19-11-14-6-4-10-22-14/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 327.41 g/mol, XLogP of 3.18, 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-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).