1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

C22H27NO5S — CID 9332581

IUPAC1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESCCc1ccc(CC)c(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H27NO5S/c1-3-17-5-6-18(4-2)21(15-17)22(24)16-28-19-7-9-20(10-8-19)29(25,26)23-11-13-27-14-12-23/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyWQSMVBTWANMHJR-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.09
Rot. Bonds8

About 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone

1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (PubChem CID 9332581) has the molecular formula C22H27NO5S and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
PubChem CID9332581
Molecular FormulaC22H27NO5S
Molecular Weight417.53 g/mol
Exact Mass417.16
IUPAC Name1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
SMILESCCc1ccc(CC)c(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H27NO5S/c1-3-17-5-6-18(4-2)21(15-17)22(24)16-28-19-7-9-20(10-8-19)29(25,26)23-11-13-27-14-12-23/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyWQSMVBTWANMHJR-UHFFFAOYSA-N
XLogP3.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 42986052
1-(2,5-dimethylthiophen-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9332969
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331575
[2-(2,5-diethylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42986055
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331375
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 7741281
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone (CID 9332581) is 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is CCc1ccc(CC)c(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
The InChIKey is WQSMVBTWANMHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5S/c1-3-17-5-6-18(4-2)21(15-17)22(24)16-28-19-7-9-20(10-8-19)29(25,26)23-11-13-27-14-12-23/h5-10,15H,3-4,11-14,16H2,1-2H3.
What are the key properties of 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone?
1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone has a molecular weight of 417.53 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone is sourced from PubChem (CID 9332581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).