N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide

C8H11NO2S2 — CID 60701164

IUPACN-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCONC(=O)CSCc1cccs1
InChIInChI=1S/C8H11NO2S2/c1-11-9-8(10)6-12-5-7-3-2-4-13-7/h2-4H,5-6H2,1H3,(H,9,10)
InChIKeyUXZMNCYXUQRNBF-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.66
Rot. Bonds5

About N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 60701164) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID60701164
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC NameN-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCONC(=O)CSCc1cccs1
InChIInChI=1S/C8H11NO2S2/c1-11-9-8(10)6-12-5-7-3-2-4-13-7/h2-4H,5-6H2,1H3,(H,9,10)
InChIKeyUXZMNCYXUQRNBF-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 60701164) is N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide is CONC(=O)CSCc1cccs1.
What is the InChIKey of N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is UXZMNCYXUQRNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S2/c1-11-9-8(10)6-12-5-7-3-2-4-13-7/h2-4H,5-6H2,1H3,(H,9,10).
What are the key properties of N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 217.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 60701164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).