ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate

C19H23NO4S — CID 21482171

IUPACethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate
SMILESCCOC(=O)N1CCOC(COc2ccccc2Cc2cccs2)C1
InChIInChI=1S/C19H23NO4S/c1-2-22-19(21)20-9-10-23-16(13-20)14-24-18-8-4-3-6-15(18)12-17-7-5-11-25-17/h3-8,11,16H,2,9-10,12-14H2,1H3
InChIKeyCYHFABNZUTYYNQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.58
Rot. Bonds6

About ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate

ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate (PubChem CID 21482171) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate
PubChem CID21482171
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Nameethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate
SMILESCCOC(=O)N1CCOC(COc2ccccc2Cc2cccs2)C1
InChIInChI=1S/C19H23NO4S/c1-2-22-19(21)20-9-10-23-16(13-20)14-24-18-8-4-3-6-15(18)12-17-7-5-11-25-17/h3-8,11,16H,2,9-10,12-14H2,1H3
InChIKeyCYHFABNZUTYYNQ-UHFFFAOYSA-N
XLogP3.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate (CID 21482171) is ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate is CCOC(=O)N1CCOC(COc2ccccc2Cc2cccs2)C1.
What is the InChIKey of ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate?
The InChIKey is CYHFABNZUTYYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-2-22-19(21)20-9-10-23-16(13-20)14-24-18-8-4-3-6-15(18)12-17-7-5-11-25-17/h3-8,11,16H,2,9-10,12-14H2,1H3.
What are the key properties of ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate?
ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 21482171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).