2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide

C17H19NOS — CID 2890360

IUPAC2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCc1ccc(SCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-13-8-10-16(11-9-13)20-12-17(19)18-14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)
InChIKeyLLLMPTXKIGLDPC-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.96
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 2890360) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID2890360
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCc1ccc(SCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-13-8-10-16(11-9-13)20-12-17(19)18-14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)
InChIKeyLLLMPTXKIGLDPC-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.96
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-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide (CID 2890360) is 2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide is Cc1ccc(SCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is LLLMPTXKIGLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-8-10-16(11-9-13)20-12-17(19)18-14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 3.96, 5 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 2890360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).