N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C12H15N3O2S2 — CID 71051077

IUPACN-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCSCc1ccco1
InChIInChI=1S/C12H15N3O2S2/c1-15-5-4-13-12(15)19-8-11(16)14-9-18-7-10-3-2-6-17-10/h2-6H,7-9H2,1H3,(H,14,16)
InChIKeyCGDOPBIFKQMNMU-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.11
Rot. Bonds7

About N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 71051077) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID71051077
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NCSCc1ccco1
InChIInChI=1S/C12H15N3O2S2/c1-15-5-4-13-12(15)19-8-11(16)14-9-18-7-10-3-2-6-17-10/h2-6H,7-9H2,1H3,(H,14,16)
InChIKeyCGDOPBIFKQMNMU-UHFFFAOYSA-N
XLogP2.11
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 71051077) is N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NCSCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is CGDOPBIFKQMNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-15-5-4-13-12(15)19-8-11(16)14-9-18-7-10-3-2-6-17-10/h2-6H,7-9H2,1H3,(H,14,16).
What are the key properties of N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 297.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylsulfanylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 71051077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).