naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone

C21H21NOS — CID 67297223

IUPACnaphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone
SMILESO=C(c1cc(CCN2CCCC2)cs1)c1cccc2ccccc12
InChIInChI=1S/C21H21NOS/c23-21(19-9-5-7-17-6-1-2-8-18(17)19)20-14-16(15-24-20)10-13-22-11-3-4-12-22/h1-2,5-9,14-15H,3-4,10-13H2
InChIKeySPBJRUUUDXFHGI-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.77
Rot. Bonds5

About naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone

naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone (PubChem CID 67297223) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone
PubChem CID67297223
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Namenaphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone
SMILESO=C(c1cc(CCN2CCCC2)cs1)c1cccc2ccccc12
InChIInChI=1S/C21H21NOS/c23-21(19-9-5-7-17-6-1-2-8-18(17)19)20-14-16(15-24-20)10-13-22-11-3-4-12-22/h1-2,5-9,14-15H,3-4,10-13H2
InChIKeySPBJRUUUDXFHGI-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone?
The IUPAC name of naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone (CID 67297223) is naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone is O=C(c1cc(CCN2CCCC2)cs1)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone?
The InChIKey is SPBJRUUUDXFHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c23-21(19-9-5-7-17-6-1-2-8-18(17)19)20-14-16(15-24-20)10-13-22-11-3-4-12-22/h1-2,5-9,14-15H,3-4,10-13H2.
What are the key properties of naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone?
naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone has a molecular weight of 335.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 67297223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).