1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone

C18H22N2O2S — CID 110364204

IUPAC1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCN(C)c1ccc(C2CN(C(=O)Cc3cccs3)CCO2)cc1
InChIInChI=1S/C18H22N2O2S/c1-19(2)15-7-5-14(6-8-15)17-13-20(9-10-22-17)18(21)12-16-4-3-11-23-16/h3-8,11,17H,9-10,12-13H2,1-2H3
InChIKeyXJIWIWKNAYXTAX-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.96
Rot. Bonds4

About 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone

1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 110364204) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID110364204
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCN(C)c1ccc(C2CN(C(=O)Cc3cccs3)CCO2)cc1
InChIInChI=1S/C18H22N2O2S/c1-19(2)15-7-5-14(6-8-15)17-13-20(9-10-22-17)18(21)12-16-4-3-11-23-16/h3-8,11,17H,9-10,12-13H2,1-2H3
InChIKeyXJIWIWKNAYXTAX-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 110364184
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124981363
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 60586938
[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134770
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline
CID 110364270

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone (CID 110364204) is 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone is CN(C)c1ccc(C2CN(C(=O)Cc3cccs3)CCO2)cc1.
What is the InChIKey of 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is XJIWIWKNAYXTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-19(2)15-7-5-14(6-8-15)17-13-20(9-10-22-17)18(21)12-16-4-3-11-23-16/h3-8,11,17H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 330.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110364204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).