2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide

C10H14ClNO3S2 — CID 79676695

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO3S2/c1-14-4-5-15-12-10(13)7-16-6-8-2-3-9(11)17-8/h2-3H,4-7H2,1H3,(H,12,13)
InChIKeyJZPLFEXKGYNNHS-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.33
Rot. Bonds8

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

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide (PubChem CID 79676695) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide
PubChem CID79676695
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO3S2/c1-14-4-5-15-12-10(13)7-16-6-8-2-3-9(11)17-8/h2-3H,4-7H2,1H3,(H,12,13)
InChIKeyJZPLFEXKGYNNHS-UHFFFAOYSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.33
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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Related Compounds

3-(4-chlorothiophen-2-yl)-N-ethoxypropanamide
CID 56792389
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,2,2-trifluoroethoxy)acetamide
CID 81341155
N-[(5-chlorothiophen-2-yl)methoxy]acetamide
CID 11084990
2-[(5-Chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 43236452
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-ethoxyacetamide
CID 45800539
N-ethoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 45800541
2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-N-methoxy-N-methylacetamide
CID 60645848
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide
CID 60646018
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
N-methoxy-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60701164
2-[[2-[(5-Chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid
CID 63912083
N-(2-methoxyethoxy)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 79672770

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide (CID 79676695) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide is COCCONC(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide?
The InChIKey is JZPLFEXKGYNNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-14-4-5-15-12-10(13)7-16-6-8-2-3-9(11)17-8/h2-3H,4-7H2,1H3,(H,12,13).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 79676695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).