1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone

C18H19NO3S — CID 97320577

IUPAC1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
SMILESO=C(C[C@H]1COCCN1C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C18H19NO3S/c20-17(14-5-2-1-3-6-14)11-15-13-22-9-8-19(15)18(21)12-16-7-4-10-23-16/h1-7,10,15H,8-9,11-13H2/t15-/m0/s1
InChIKeyQENSOCFVORPERE-HNNXBMFYSA-N
MW329.42 g/mol
LogP2.79
Rot. Bonds5

About 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone

1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone (PubChem CID 97320577) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
PubChem CID97320577
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
SMILESO=C(C[C@H]1COCCN1C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C18H19NO3S/c20-17(14-5-2-1-3-6-14)11-15-13-22-9-8-19(15)18(21)12-16-7-4-10-23-16/h1-7,10,15H,8-9,11-13H2/t15-/m0/s1
InChIKeyQENSOCFVORPERE-HNNXBMFYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone (CID 97320577) is 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone is O=C(C[C@H]1COCCN1C(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone?
The InChIKey is QENSOCFVORPERE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-17(14-5-2-1-3-6-14)11-15-13-22-9-8-19(15)18(21)12-16-7-4-10-23-16/h1-7,10,15H,8-9,11-13H2/t15-/m0/s1.
What are the key properties of 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone?
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone has a molecular weight of 329.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 97320577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).