2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide

C16H16ClNOS — CID 875851

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNOS/c1-12-5-7-15(8-6-12)18-16(19)11-20-10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCLABCWNKWIPKKD-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.52
Rot. Bonds5

About 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 875851) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID875851
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNOS/c1-12-5-7-15(8-6-12)18-16(19)11-20-10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCLABCWNKWIPKKD-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide (CID 875851) is 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is CLABCWNKWIPKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-12-5-7-15(8-6-12)18-16(19)11-20-10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 305.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 875851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).