2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide

C8H10ClNO2S2 — CID 60701138

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
SMILESCONC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S2/c1-12-10-8(11)5-13-4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyGTGGACXMJIMYFY-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.31
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide (PubChem CID 60701138) has the molecular formula C8H10ClNO2S2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
PubChem CID60701138
Molecular FormulaC8H10ClNO2S2
Molecular Weight251.76 g/mol
Exact Mass250.98
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
SMILESCONC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S2/c1-12-10-8(11)5-13-4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyGTGGACXMJIMYFY-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]propanoate
CID 47368145
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 43418794
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-2-ethylbutanoic acid
CID 79806357
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791657
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate
CID 9331463
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dihydroxypropyl)acetamide
CID 66177472
(2R)-4-amino-2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-4-oxobutanoic acid
CID 107821452
4-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 62042225
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 32623748
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171672
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide
CID 115700723

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide (CID 60701138) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide is CONC(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide?
The InChIKey is GTGGACXMJIMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S2/c1-12-10-8(11)5-13-4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide has a molecular weight of 251.76 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide is sourced from PubChem (CID 60701138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).