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

C12H16ClNO2S2 — CID 83202951

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide
SMILESO=C(CSCc1ccc(Cl)s1)NOC1CCCC1
InChIInChI=1S/C12H16ClNO2S2/c13-11-6-5-10(18-11)7-17-8-12(15)14-16-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15)
InChIKeyPLCJZONELLCSGQ-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.63
Rot. Bonds6

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

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide (PubChem CID 83202951) has the molecular formula C12H16ClNO2S2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide
PubChem CID83202951
Molecular FormulaC12H16ClNO2S2
Molecular Weight305.85 g/mol
Exact Mass305.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide
SMILESO=C(CSCc1ccc(Cl)s1)NOC1CCCC1
InChIInChI=1S/C12H16ClNO2S2/c13-11-6-5-10(18-11)7-17-8-12(15)14-16-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15)
InChIKeyPLCJZONELLCSGQ-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.63
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 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide (CID 83202951) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide is O=C(CSCc1ccc(Cl)s1)NOC1CCCC1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide?
The InChIKey is PLCJZONELLCSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S2/c13-11-6-5-10(18-11)7-17-8-12(15)14-16-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,14,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclopentyloxyacetamide has a molecular weight of 305.85 g/mol, XLogP of 3.63, 6 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-cyclopentyloxyacetamide is sourced from PubChem (CID 83202951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).