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

C8H10ClNOS2 — CID 60646018

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNOS2/c1-10-8(11)5-12-4-6-2-3-7(9)13-6/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyMEOHBUPXQAYFLH-UHFFFAOYSA-N
MW235.76 g/mol
LogP2.38
Rot. Bonds4

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

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide (PubChem CID 60646018) has the molecular formula C8H10ClNOS2 and a molecular weight of 235.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide
PubChem CID60646018
Molecular FormulaC8H10ClNOS2
Molecular Weight235.76 g/mol
Exact Mass234.99
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNOS2/c1-10-8(11)5-12-4-6-2-3-7(9)13-6/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyMEOHBUPXQAYFLH-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide (CID 60646018) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide is CNC(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide?
The InChIKey is MEOHBUPXQAYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS2/c1-10-8(11)5-12-4-6-2-3-7(9)13-6/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide has a molecular weight of 235.76 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 60646018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).