2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide

C16H17NOS2 — CID 2975592

IUPAC2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCSc1ccccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C16H17NOS2/c1-19-15-10-6-5-9-14(15)16(18)17-11-12-20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyZACQZPFYAPCEBH-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.93
Rot. Bonds6

About 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide

2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 2975592) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide
PubChem CID2975592
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC Name2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCSc1ccccc1C(=O)NCCSc1ccccc1
InChIInChI=1S/C16H17NOS2/c1-19-15-10-6-5-9-14(15)16(18)17-11-12-20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyZACQZPFYAPCEBH-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide (CID 2975592) is 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide is CSc1ccccc1C(=O)NCCSc1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is ZACQZPFYAPCEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c1-19-15-10-6-5-9-14(15)16(18)17-11-12-20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide?
2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 303.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 2975592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).