2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene

C21H22S — CID 57095909

IUPAC2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene
SMILESc1csc(CC(c2ccc3ccccc3c2)C2CCCC2)c1
InChIInChI=1S/C21H22S/c1-4-9-18-14-19(12-11-16(18)6-1)21(17-7-2-3-8-17)15-20-10-5-13-22-20/h1,4-6,9-14,17,21H,2-3,7-8,15H2
InChIKeyKBFJXUOJUYSRLA-UHFFFAOYSA-N
MW306.47 g/mol
LogP6.42
Rot. Bonds4

About 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene

2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene (PubChem CID 57095909) has the molecular formula C21H22S and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene
PubChem CID57095909
Molecular FormulaC21H22S
Molecular Weight306.47 g/mol
Exact Mass306.14
IUPAC Name2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene
SMILESc1csc(CC(c2ccc3ccccc3c2)C2CCCC2)c1
InChIInChI=1S/C21H22S/c1-4-9-18-14-19(12-11-16(18)6-1)21(17-7-2-3-8-17)15-20-10-5-13-22-20/h1,4-6,9-14,17,21H,2-3,7-8,15H2
InChIKeyKBFJXUOJUYSRLA-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene 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-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene
CID 57257554
2-(2-bromo-2-cyclohexylethyl)thiophene
CID 63543626
2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene
CID 155809012
cyclopentyl(naphthalen-2-yl)methanol
CID 62715022
cyclohexyl(naphthalen-2-yl)methanamine
CID 62715199
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
2-[(1R)-1-cyclopentylprop-2-enyl]naphthalene
CID 134967004
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
CID 114458094
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
CID 113292793

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene?
The IUPAC name of 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene (CID 57095909) is 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene.
What is the SMILES notation for 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene?
The canonical SMILES for 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene is c1csc(CC(c2ccc3ccccc3c2)C2CCCC2)c1.
What is the InChIKey of 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene?
The InChIKey is KBFJXUOJUYSRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22S/c1-4-9-18-14-19(12-11-16(18)6-1)21(17-7-2-3-8-17)15-20-10-5-13-22-20/h1,4-6,9-14,17,21H,2-3,7-8,15H2.
What are the key properties of 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene?
2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene has a molecular weight of 306.47 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene is sourced from PubChem (CID 57095909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).