2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C18H20ClNOS — CID 2338112

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C18H20ClNOS/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyLYUWMDMDLNDCCE-UHFFFAOYSA-N
MW333.88 g/mol
LogP5.50
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 2338112) has the molecular formula C18H20ClNOS and a molecular weight of 333.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID2338112
Molecular FormulaC18H20ClNOS
Molecular Weight333.88 g/mol
Exact Mass333.10
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C18H20ClNOS/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyLYUWMDMDLNDCCE-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.88
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 2338112) is 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is LYUWMDMDLNDCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNOS/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 333.88 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).