ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate

C30H30O4S — CID 70225025

IUPACethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C(C)(SC(C)(C(=O)OCC)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C30H30O4S/c1-5-33-27(31)29(3,25-17-15-21-11-7-9-13-23(21)19-25)35-30(4,28(32)34-6-2)26-18-16-22-12-8-10-14-24(22)20-26/h7-20H,5-6H2,1-4H3
InChIKeyFIDWCZMFHXBMAC-UHFFFAOYSA-N
MW486.63 g/mol
LogP6.98
Rot. Bonds8

About ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate

ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate (PubChem CID 70225025) has the molecular formula C30H30O4S and a molecular weight of 486.63 g/mol. Its IUPAC name is ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
PubChem CID70225025
Molecular FormulaC30H30O4S
Molecular Weight486.63 g/mol
Exact Mass486.19
IUPAC Nameethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
SMILESCCOC(=O)C(C)(SC(C)(C(=O)OCC)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C30H30O4S/c1-5-33-27(31)29(3,25-17-15-21-11-7-9-13-23(21)19-25)35-30(4,28(32)34-6-2)26-18-16-22-12-8-10-14-24(22)20-26/h7-20H,5-6H2,1-4H3
InChIKeyFIDWCZMFHXBMAC-UHFFFAOYSA-N
XLogP6.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.63
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate?
The IUPAC name of ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate (CID 70225025) is ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate.
What is the SMILES notation for ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate?
The canonical SMILES for ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate is CCOC(=O)C(C)(SC(C)(C(=O)OCC)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate?
The InChIKey is FIDWCZMFHXBMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4S/c1-5-33-27(31)29(3,25-17-15-21-11-7-9-13-23(21)19-25)35-30(4,28(32)34-6-2)26-18-16-22-12-8-10-14-24(22)20-26/h7-20H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate?
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate has a molecular weight of 486.63 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate is sourced from PubChem (CID 70225025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).