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

C11H16ClNO2S2 — CID 82726311

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S2/c1-11(2,3)15-13-10(14)7-16-6-8-4-5-9(12)17-8/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyUTHZVLKBCSBGQC-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.48
Rot. Bonds5

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

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 82726311) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID82726311
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S2/c1-11(2,3)15-13-10(14)7-16-6-8-4-5-9(12)17-8/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyUTHZVLKBCSBGQC-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.48
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-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide (CID 82726311) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)ONC(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is UTHZVLKBCSBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-11(2,3)15-13-10(14)7-16-6-8-4-5-9(12)17-8/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 293.84 g/mol, XLogP of 3.48, 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-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 82726311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).