2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide

C15H14ClNOS2 — CID 895887

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNOS2/c1-19-14-4-2-3-12(9-14)17-15(18)10-20-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyXJTQUAPBDDFBCV-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 895887) has the molecular formula C15H14ClNOS2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
PubChem CID895887
Molecular FormulaC15H14ClNOS2
Molecular Weight323.87 g/mol
Exact Mass323.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNOS2/c1-19-14-4-2-3-12(9-14)17-15(18)10-20-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyXJTQUAPBDDFBCV-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide (CID 895887) is 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is XJTQUAPBDDFBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS2/c1-19-14-4-2-3-12(9-14)17-15(18)10-20-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 323.87 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 895887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).