2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C16H16N2O3S2 — CID 2823392

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)NCCSCc1ccco1
InChIInChI=1S/C16H16N2O3S2/c19-15(17-7-9-22-10-12-4-3-8-20-12)11-23-16-18-13-5-1-2-6-14(13)21-16/h1-6,8H,7,9-11H2,(H,17,19)
InChIKeyMBPGRIVYEDPPTM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.56
Rot. Bonds8

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2823392) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2823392
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)NCCSCc1ccco1
InChIInChI=1S/C16H16N2O3S2/c19-15(17-7-9-22-10-12-4-3-8-20-12)11-23-16-18-13-5-1-2-6-14(13)21-16/h1-6,8H,7,9-11H2,(H,17,19)
InChIKeyMBPGRIVYEDPPTM-UHFFFAOYSA-N
XLogP3.56
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]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 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2823392) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is O=C(CSc1nc2ccccc2o1)NCCSCc1ccco1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is MBPGRIVYEDPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c19-15(17-7-9-22-10-12-4-3-8-20-12)11-23-16-18-13-5-1-2-6-14(13)21-16/h1-6,8H,7,9-11H2,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2823392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).