2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide

C17H13Cl2NOS2 — CID 2824391

IUPAC2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSCc1csc2ccc(Cl)cc12)Nc1ccccc1Cl
InChIInChI=1S/C17H13Cl2NOS2/c18-12-5-6-16-13(7-12)11(9-23-16)8-22-10-17(21)20-15-4-2-1-3-14(15)19/h1-7,9H,8,10H2,(H,20,21)
InChIKeyDKHKCTBTYQJWPM-UHFFFAOYSA-N
MW382.34 g/mol
LogP6.08
Rot. Bonds5

About 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide

2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide (PubChem CID 2824391) has the molecular formula C17H13Cl2NOS2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
PubChem CID2824391
Molecular FormulaC17H13Cl2NOS2
Molecular Weight382.34 g/mol
Exact Mass380.98
IUPAC Name2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSCc1csc2ccc(Cl)cc12)Nc1ccccc1Cl
InChIInChI=1S/C17H13Cl2NOS2/c18-12-5-6-16-13(7-12)11(9-23-16)8-22-10-17(21)20-15-4-2-1-3-14(15)19/h1-7,9H,8,10H2,(H,20,21)
InChIKeyDKHKCTBTYQJWPM-UHFFFAOYSA-N
XLogP6.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide (CID 2824391) is 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide is O=C(CSCc1csc2ccc(Cl)cc12)Nc1ccccc1Cl.
What is the InChIKey of 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is DKHKCTBTYQJWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NOS2/c18-12-5-6-16-13(7-12)11(9-23-16)8-22-10-17(21)20-15-4-2-1-3-14(15)19/h1-7,9H,8,10H2,(H,20,21).
What are the key properties of 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide?
2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 382.34 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 2824391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).