2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide

C17H19NOS2 — CID 3774392

IUPAC2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSCc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C17H19NOS2/c19-17(14-20-13-15-7-3-1-4-8-15)18-11-12-21-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyUCSAUZCJGBBKCA-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.83
Rot. Bonds8

About 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide

2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 3774392) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
PubChem CID3774392
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSCc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C17H19NOS2/c19-17(14-20-13-15-7-3-1-4-8-15)18-11-12-21-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyUCSAUZCJGBBKCA-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.83
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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Related Compounds

2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 2208014
2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66126582
2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66217319
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086
N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7489579
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 2897719
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 55741154
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide (CID 3774392) is 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide is O=C(CSCc1ccccc1)NCCSc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is UCSAUZCJGBBKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c19-17(14-20-13-15-7-3-1-4-8-15)18-11-12-21-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide?
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 317.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 3774392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).