1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

C20H23NO7S — CID 9331575

IUPAC1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESCOc1ccc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C20H23NO7S/c1-25-19-8-3-15(13-20(19)26-2)18(22)14-28-16-4-6-17(7-5-16)29(23,24)21-9-11-27-12-10-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyKYOKCODVTDRLOM-UHFFFAOYSA-N
MW421.47 g/mol
LogP1.99
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (PubChem CID 9331575) has the molecular formula C20H23NO7S and a molecular weight of 421.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
PubChem CID9331575
Molecular FormulaC20H23NO7S
Molecular Weight421.47 g/mol
Exact Mass421.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESCOc1ccc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C20H23NO7S/c1-25-19-8-3-15(13-20(19)26-2)18(22)14-28-16-4-6-17(7-5-16)29(23,24)21-9-11-27-12-10-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyKYOKCODVTDRLOM-UHFFFAOYSA-N
XLogP1.99
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331375
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9332969
[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 3446039
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4-dimethoxybenzoate
CID 2645986
1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9332581
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679907
N-[(2-methoxyphenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6492353
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 42988498
methyl 4-[[(1S)-6,7-dimethoxy-2-(4-morpholin-4-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
CID 92907240
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (CID 9331575) is 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is COc1ccc(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The InChIKey is KYOKCODVTDRLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7S/c1-25-19-8-3-15(13-20(19)26-2)18(22)14-28-16-4-6-17(7-5-16)29(23,24)21-9-11-27-12-10-21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone has a molecular weight of 421.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is sourced from PubChem (CID 9331575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).