3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one

C23H30N2O5S — CID 3237569

IUPAC3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one
SMILESCOc1ccc(C(C(C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H30N2O5S/c1-27-18-6-5-17(16-19(18)28-2)21(24-7-11-29-12-8-24)22(25-9-13-30-14-10-25)23(26)20-4-3-15-31-20/h3-6,15-16,21-22H,7-14H2,1-2H3
InChIKeyAUNVLATUOFSGJT-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.72
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one

3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one (PubChem CID 3237569) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one
PubChem CID3237569
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one
SMILESCOc1ccc(C(C(C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H30N2O5S/c1-27-18-6-5-17(16-19(18)28-2)21(24-7-11-29-12-8-24)22(25-9-13-30-14-10-25)23(26)20-4-3-15-31-20/h3-6,15-16,21-22H,7-14H2,1-2H3
InChIKeyAUNVLATUOFSGJT-UHFFFAOYSA-N
XLogP2.72
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one 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

Thiophene-2-carboxylic acid [(Z)-2-(3,4-dimethoxy-phenyl)-1-(morpholine-4-carbonyl)-vinyl]-amide
CID 1608711
1-[4-[(3,4-Dimethoxyphenyl)methyl]piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 9437492
(3,4-Dimethoxyphenyl)[1-(3-thienylmethyl)-3-piperidinyl]methanone
CID 16187725
(3,4-Dimethoxyphenyl){1-[(5-methyl-2-thienyl)methyl]piperidin-3-yl}methanone
CID 16191554
1-[4-[(4,5-Dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 16314919
N-[(1E)-1-(3,4-dimethoxyphenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 1154726
3,4-Dimethoxy-N-[1-(4-methyl-piperazine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 1333016
5-(2,3-dimethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2917500
3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1-[2-(4-morpholinyl)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3378869
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[2-(morpholin-4-yl)ethyl]pyrrolidine-2,3-dione
CID 2919054
3-Hydroxy-1-(2-morpholin-4-ylethyl)-5-(3-propoxyphenyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3725731
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide
CID 4883905

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one (CID 3237569) is 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one is COc1ccc(C(C(C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The InChIKey is AUNVLATUOFSGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-27-18-6-5-17(16-19(18)28-2)21(24-7-11-29-12-8-24)22(25-9-13-30-14-10-25)23(26)20-4-3-15-31-20/h3-6,15-16,21-22H,7-14H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one?
3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one has a molecular weight of 446.57 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 3237569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).