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

C10H15NO3S2 — CID 79672770

IUPACN-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCOCCONC(=O)CSCc1cccs1
InChIInChI=1S/C10H15NO3S2/c1-13-4-5-14-11-10(12)8-15-7-9-3-2-6-16-9/h2-3,6H,4-5,7-8H2,1H3,(H,11,12)
InChIKeyYORZIKJFGPFCMG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.68
Rot. Bonds8

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

N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 79672770) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID79672770
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC NameN-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCOCCONC(=O)CSCc1cccs1
InChIInChI=1S/C10H15NO3S2/c1-13-4-5-14-11-10(12)8-15-7-9-3-2-6-16-9/h2-3,6H,4-5,7-8H2,1H3,(H,11,12)
InChIKeyYORZIKJFGPFCMG-UHFFFAOYSA-N
XLogP1.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 79672770) is N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide is COCCONC(=O)CSCc1cccs1.
What is the InChIKey of N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is YORZIKJFGPFCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-13-4-5-14-11-10(12)8-15-7-9-3-2-6-16-9/h2-3,6H,4-5,7-8H2,1H3,(H,11,12).
What are the key properties of N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 79672770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).