N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C17H19N3O2S2 — CID 2823393

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NCCSCc3ccco3)[nH]c2c1
InChIInChI=1S/C17H19N3O2S2/c1-12-4-5-14-15(9-12)20-17(19-14)24-11-16(21)18-6-8-23-10-13-3-2-7-22-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyGFZYCJBZVOJDJO-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2823393) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID2823393
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NCCSCc3ccco3)[nH]c2c1
InChIInChI=1S/C17H19N3O2S2/c1-12-4-5-14-15(9-12)20-17(19-14)24-11-16(21)18-6-8-23-10-13-3-2-7-22-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyGFZYCJBZVOJDJO-UHFFFAOYSA-N
XLogP3.61
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide 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-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2823393) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)NCCSCc3ccco3)[nH]c2c1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is GFZYCJBZVOJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-12-4-5-14-15(9-12)20-17(19-14)24-11-16(21)18-6-8-23-10-13-3-2-7-22-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2823393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).