N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide

C14H19NOS2 — CID 114122127

IUPACN-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
SMILESCCSC1CCCC1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H19NOS2/c1-2-18-13-5-3-4-12(13)15-14(16)10-6-8-11(17)9-7-10/h6-9,12-13,17H,2-5H2,1H3,(H,15,16)
InChIKeyOTKGMEVVWYUSND-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.38
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide

N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide (PubChem CID 114122127) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
PubChem CID114122127
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
SMILESCCSC1CCCC1NC(=O)c1ccc(S)cc1
InChIInChI=1S/C14H19NOS2/c1-2-18-13-5-3-4-12(13)15-14(16)10-6-8-11(17)9-7-10/h6-9,12-13,17H,2-5H2,1H3,(H,15,16)
InChIKeyOTKGMEVVWYUSND-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
CID 114124428
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
N-(2-ethylsulfanylcyclopentyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114122098
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
CID 103747794

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide (CID 114122127) is N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide is CCSC1CCCC1NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide?
The InChIKey is OTKGMEVVWYUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c1-2-18-13-5-3-4-12(13)15-14(16)10-6-8-11(17)9-7-10/h6-9,12-13,17H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide?
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide has a molecular weight of 281.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide is sourced from PubChem (CID 114122127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).