2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide

C17H19NOS — CID 846869

IUPAC2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc(SCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-14-7-9-16(10-8-14)20-13-17(19)18-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyWAIDDTWMLJYRCB-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 846869) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID846869
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc(SCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-14-7-9-16(10-8-14)20-13-17(19)18-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyWAIDDTWMLJYRCB-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide (CID 846869) is 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide is Cc1ccc(SCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is WAIDDTWMLJYRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-14-7-9-16(10-8-14)20-13-17(19)18-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 846869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).