2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

C15H12Cl3NOS — CID 60594383

IUPAC2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
SMILESCc1cccc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl3NOS/c1-9-3-2-4-11(5-9)21-8-14(20)19-15-12(17)6-10(16)7-13(15)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZNHGEXOICRQRDZ-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.69
Rot. Bonds4

About 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 60594383) has the molecular formula C15H12Cl3NOS and a molecular weight of 360.69 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID60594383
Molecular FormulaC15H12Cl3NOS
Molecular Weight360.69 g/mol
Exact Mass358.97
IUPAC Name2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
SMILESCc1cccc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl3NOS/c1-9-3-2-4-11(5-9)21-8-14(20)19-15-12(17)6-10(16)7-13(15)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZNHGEXOICRQRDZ-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (CID 60594383) is 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is Cc1cccc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is ZNHGEXOICRQRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NOS/c1-9-3-2-4-11(5-9)21-8-14(20)19-15-12(17)6-10(16)7-13(15)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?
2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 360.69 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 60594383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).