2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide

C17H19NOS — CID 817430

IUPAC2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-14-7-9-15(10-8-14)11-18-17(19)13-20-12-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyMJSIXFCWBPXFBY-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.54
Rot. Bonds6

About 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide

2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 817430) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID817430
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSCc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-14-7-9-15(10-8-14)11-18-17(19)13-20-12-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyMJSIXFCWBPXFBY-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide (CID 817430) is 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MJSIXFCWBPXFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-14-7-9-15(10-8-14)11-18-17(19)13-20-12-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide?
2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 285.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 817430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).