(1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate

C24H26O2S — CID 88949599

IUPAC(1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate
SMILESCCC1(OC(=O)CSCc2ccc3cc4ccccc4cc3c2)CCCC1
InChIInChI=1S/C24H26O2S/c1-2-24(11-5-6-12-24)26-23(25)17-27-16-18-9-10-21-14-19-7-3-4-8-20(19)15-22(21)13-18/h3-4,7-10,13-15H,2,5-6,11-12,16-17H2,1H3
InChIKeyMGRFZDIOKHZNDT-UHFFFAOYSA-N
MW378.54 g/mol
LogP6.49
Rot. Bonds6

About (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate

(1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate (PubChem CID 88949599) has the molecular formula C24H26O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate
PubChem CID88949599
Molecular FormulaC24H26O2S
Molecular Weight378.54 g/mol
Exact Mass378.17
IUPAC Name(1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate
SMILESCCC1(OC(=O)CSCc2ccc3cc4ccccc4cc3c2)CCCC1
InChIInChI=1S/C24H26O2S/c1-2-24(11-5-6-12-24)26-23(25)17-27-16-18-9-10-21-14-19-7-3-4-8-20(19)15-22(21)13-18/h3-4,7-10,13-15H,2,5-6,11-12,16-17H2,1H3
InChIKeyMGRFZDIOKHZNDT-UHFFFAOYSA-N
XLogP6.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylsulfonylsulfanylmethyl)anthracene
CID 71313450
N-(2-ethoxyphenyl)-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769058
bis(1-ethylcyclohexyl) benzene-1,4-dicarboxylate
CID 70018713
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
1-O-(1-ethylcyclopentyl) 4-O-(7-methylnaphthalen-2-yl) 2-methylidenebutanedioate
CID 89113998
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769045
ethyl 3-[[2-(naphthalen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 17296525
(1-ethylcyclohexyl) 2-[4-[4-[2-[4-[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-2,5-diiodophenoxy]phenyl]ethyl]phenoxy]-2,5-diiodophenoxy]acetate
CID 170153881
1-ethyl-N-(naphthalen-2-ylmethyl)cyclobutan-1-amine
CID 113488696
methyl 2-[[3-[(1-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318856
(1-ethylcyclopentyl) pentanoate
CID 123172403
3-(1-ethylcyclohexyl)oxycarbonylbenzenesulfonic acid
CID 174249446

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate?
The IUPAC name of (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate (CID 88949599) is (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate?
The canonical SMILES for (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate is CCC1(OC(=O)CSCc2ccc3cc4ccccc4cc3c2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate?
The InChIKey is MGRFZDIOKHZNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2S/c1-2-24(11-5-6-12-24)26-23(25)17-27-16-18-9-10-21-14-19-7-3-4-8-20(19)15-22(21)13-18/h3-4,7-10,13-15H,2,5-6,11-12,16-17H2,1H3.
What are the key properties of (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate?
(1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate has a molecular weight of 378.54 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-(anthracen-2-ylmethylsulfanyl)acetate is sourced from PubChem (CID 88949599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).