N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide

C15H21NOS2 — CID 94101618

IUPACN-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCSC1CCCC1
InChIInChI=1S/C15H21NOS2/c1-18-14-9-5-4-8-13(14)15(17)16-10-11-19-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyHVPMHZLRAIYVEQ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.81
Rot. Bonds6

About N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide

N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide (PubChem CID 94101618) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
PubChem CID94101618
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCSC1CCCC1
InChIInChI=1S/C15H21NOS2/c1-18-14-9-5-4-8-13(14)15(17)16-10-11-19-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyHVPMHZLRAIYVEQ-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.81
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

N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
CID 2224882
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide
CID 52992742
N-(2-cyclopentylsulfanylethyl)-2-iodo-4-methylbenzamide
CID 100528576
2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
CID 94101556
(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
CID 94101620
N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide
CID 75403017
N-[2-(1-adamantyloxy)ethyl]-2-methylsulfanylbenzamide
CID 3767855
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
N-(2-cyclopentylsulfanylethyl)-2-(2-ethylphenoxy)propanamide
CID 133200034

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide (CID 94101618) is N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide?
The InChIKey is HVPMHZLRAIYVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-18-14-9-5-4-8-13(14)15(17)16-10-11-19-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide?
N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide has a molecular weight of 295.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 94101618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).