2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile

C19H20N2O2S — CID 119034501

IUPAC2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile
SMILESN#CCc1ccc(CN2CCOCC2CC(=O)c2cccs2)cc1
InChIInChI=1S/C19H20N2O2S/c20-8-7-15-3-5-16(6-4-15)13-21-9-10-23-14-17(21)12-18(22)19-2-1-11-24-19/h1-6,11,17H,7,9-10,12-14H2
InChIKeyICHIIUNRQLUZDR-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.29
Rot. Bonds6

About 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile

2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile (PubChem CID 119034501) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile
PubChem CID119034501
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile
SMILESN#CCc1ccc(CN2CCOCC2CC(=O)c2cccs2)cc1
InChIInChI=1S/C19H20N2O2S/c20-8-7-15-3-5-16(6-4-15)13-21-9-10-23-14-17(21)12-18(22)19-2-1-11-24-19/h1-6,11,17H,7,9-10,12-14H2
InChIKeyICHIIUNRQLUZDR-UHFFFAOYSA-N
XLogP3.29
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99578863
1-thiophen-2-yl-2-[4-(trimethylsilylmethyl)morpholin-3-yl]ethanone
CID 75478811
2-[(3R)-4-(3-hydroxypropyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99579369
2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 119034502
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86817699
2-[(3R)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699245
2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699244
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86803507
2-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-N-phenylacetamide
CID 99699219
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86796926
2-[(2R)-1-benzylazepan-2-yl]-1-thiophen-2-ylethanone
CID 99978766
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile (CID 119034501) is 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile is N#CCc1ccc(CN2CCOCC2CC(=O)c2cccs2)cc1.
What is the InChIKey of 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile?
The InChIKey is ICHIIUNRQLUZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c20-8-7-15-3-5-16(6-4-15)13-21-9-10-23-14-17(21)12-18(22)19-2-1-11-24-19/h1-6,11,17H,7,9-10,12-14H2.
What are the key properties of 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile?
2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile has a molecular weight of 340.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile is sourced from PubChem (CID 119034501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).