2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene

C21H22S — CID 57257554

IUPAC2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene
SMILESc1csc(CC(Cc2ccc3ccccc3c2)C2CCC2)c1
InChIInChI=1S/C21H22S/c1-2-6-19-13-16(10-11-18(19)5-1)14-20(17-7-3-8-17)15-21-9-4-12-22-21/h1-2,4-6,9-13,17,20H,3,7-8,14-15H2
InChIKeyUBBZANMISGSYKG-UHFFFAOYSA-N
MW306.47 g/mol
LogP6.10
Rot. Bonds5

About 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene

2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene (PubChem CID 57257554) has the molecular formula C21H22S and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene.

Molecular Properties

Compound Name2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene
PubChem CID57257554
Molecular FormulaC21H22S
Molecular Weight306.47 g/mol
Exact Mass306.14
IUPAC Name2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene
SMILESc1csc(CC(Cc2ccc3ccccc3c2)C2CCC2)c1
InChIInChI=1S/C21H22S/c1-2-6-19-13-16(10-11-18(19)5-1)14-20(17-7-3-8-17)15-21-9-4-12-22-21/h1-2,4-6,9-13,17,20H,3,7-8,14-15H2
InChIKeyUBBZANMISGSYKG-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
CID 57017879
2-(2-cyclopentyl-2-naphthalen-2-ylethyl)thiophene
CID 57095909
2-(3-cyclohexyl-2-cyclopentylpropyl)naphthalene
CID 57267365
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
2-(2-bromo-2-cyclohexylethyl)thiophene
CID 63543626
2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide
CID 140992725
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
3-(1-bromo-3-thiophen-2-ylpropan-2-yl)thiolane 1,1-dioxide
CID 66050609
2-[(1R)-2-cyclohexyl-1-naphthalen-2-ylethyl]thiophene
CID 155809012
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene?
The IUPAC name of 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene (CID 57257554) is 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene.
What is the SMILES notation for 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene?
The canonical SMILES for 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene is c1csc(CC(Cc2ccc3ccccc3c2)C2CCC2)c1.
What is the InChIKey of 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene?
The InChIKey is UBBZANMISGSYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22S/c1-2-6-19-13-16(10-11-18(19)5-1)14-20(17-7-3-8-17)15-21-9-4-12-22-21/h1-2,4-6,9-13,17,20H,3,7-8,14-15H2.
What are the key properties of 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene?
2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene has a molecular weight of 306.47 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)thiophene is sourced from PubChem (CID 57257554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).