2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide

C17H13ClFNOS2 — CID 2812366

IUPAC2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(CSCc1csc2ccccc12)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFNOS2/c18-14-7-12(5-6-15(14)19)20-17(21)10-22-8-11-9-23-16-4-2-1-3-13(11)16/h1-7,9H,8,10H2,(H,20,21)
InChIKeyZZLOYHKRESEIBS-UHFFFAOYSA-N
MW365.88 g/mol
LogP5.57
Rot. Bonds5

About 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide

2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 2812366) has the molecular formula C17H13ClFNOS2 and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID2812366
Molecular FormulaC17H13ClFNOS2
Molecular Weight365.88 g/mol
Exact Mass365.01
IUPAC Name2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(CSCc1csc2ccccc12)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H13ClFNOS2/c18-14-7-12(5-6-15(14)19)20-17(21)10-22-8-11-9-23-16-4-2-1-3-13(11)16/h1-7,9H,8,10H2,(H,20,21)
InChIKeyZZLOYHKRESEIBS-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.88
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide (CID 2812366) is 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide is O=C(CSCc1csc2ccccc12)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is ZZLOYHKRESEIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNOS2/c18-14-7-12(5-6-15(14)19)20-17(21)10-22-8-11-9-23-16-4-2-1-3-13(11)16/h1-7,9H,8,10H2,(H,20,21).
What are the key properties of 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 365.88 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 2812366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).