2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide

C9H12ClNO2S2 — CID 60645848

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S2/c1-11(13-2)9(12)6-14-5-7-3-4-8(10)15-7/h3-4H,5-6H2,1-2H3
InChIKeyNQEIIFQFZXWMBN-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.65
Rot. Bonds5

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

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide (PubChem CID 60645848) has the molecular formula C9H12ClNO2S2 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide
PubChem CID60645848
Molecular FormulaC9H12ClNO2S2
Molecular Weight265.79 g/mol
Exact Mass265.00
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S2/c1-11(13-2)9(12)6-14-5-7-3-4-8(10)15-7/h3-4H,5-6H2,1-2H3
InChIKeyNQEIIFQFZXWMBN-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.65
H-Bond Donors ≤ 50
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 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide (CID 60645848) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide is CON(C)C(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide?
The InChIKey is NQEIIFQFZXWMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S2/c1-11(13-2)9(12)6-14-5-7-3-4-8(10)15-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide has a molecular weight of 265.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 60645848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).