2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide

C16H23NOS2 — CID 94101603

IUPAC2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
SMILESO=C(CSCc1ccccc1)NCCSC1CCCC1
InChIInChI=1S/C16H23NOS2/c18-16(13-19-12-14-6-2-1-3-7-14)17-10-11-20-15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-13H2,(H,17,18)
InChIKeyJZUCRQWNIIJIFP-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.71
Rot. Bonds8

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

2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide (PubChem CID 94101603) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
PubChem CID94101603
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
SMILESO=C(CSCc1ccccc1)NCCSC1CCCC1
InChIInChI=1S/C16H23NOS2/c18-16(13-19-12-14-6-2-1-3-7-14)17-10-11-20-15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-13H2,(H,17,18)
InChIKeyJZUCRQWNIIJIFP-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.71
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-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126033785
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
CID 100517797
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62366139
N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
CID 100669575
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
2-benzylsulfanyl-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787591
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide (CID 94101603) is 2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide is O=C(CSCc1ccccc1)NCCSC1CCCC1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide?
The InChIKey is JZUCRQWNIIJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c18-16(13-19-12-14-6-2-1-3-7-14)17-10-11-20-15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-13H2,(H,17,18).
What are the key properties of 2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide?
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide has a molecular weight of 309.50 g/mol, XLogP of 3.71, 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-cyclopentylsulfanylethyl)acetamide is sourced from PubChem (CID 94101603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).