[2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone

C17H19NO2S — CID 45209120

IUPAC[2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C17H19NO2S/c19-17(16-7-4-12-21-16)18-10-11-20-15(13-18)9-8-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
InChIKeyDXINIUPOIBBCDV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.22
Rot. Bonds4

About [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone

[2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone (PubChem CID 45209120) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
PubChem CID45209120
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name[2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C17H19NO2S/c19-17(16-7-4-12-21-16)18-10-11-20-15(13-18)9-8-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
InChIKeyDXINIUPOIBBCDV-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone (CID 45209120) is [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is DXINIUPOIBBCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(16-7-4-12-21-16)18-10-11-20-15(13-18)9-8-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2.
What are the key properties of [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone?
[2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 301.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethyl)morpholin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 45209120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).