1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone

C20H21NO5S — CID 162164234

IUPAC1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H21NO5S/c1-15(22)17-4-6-18(7-5-17)20(23)14-16-2-8-19(9-3-16)27(24,25)21-10-12-26-13-11-21/h2-9H,10-14H2,1H3
InChIKeyJNMMURHKGUMGIS-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.34
Rot. Bonds6

About 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone

1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 162164234) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID162164234
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H21NO5S/c1-15(22)17-4-6-18(7-5-17)20(23)14-16-2-8-19(9-3-16)27(24,25)21-10-12-26-13-11-21/h2-9H,10-14H2,1H3
InChIKeyJNMMURHKGUMGIS-UHFFFAOYSA-N
XLogP2.34
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 21266112
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 7899574
1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27890193
5-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopentanamide
CID 55914473
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone (CID 162164234) is 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone is CC(=O)c1ccc(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is JNMMURHKGUMGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-15(22)17-4-6-18(7-5-17)20(23)14-16-2-8-19(9-3-16)27(24,25)21-10-12-26-13-11-21/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone?
1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 387.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 162164234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).