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

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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).