2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone

C20H32N4O4S — CID 56540726

IUPAC2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C20H32N4O4S/c1-3-21(4-2)19(18-8-6-5-7-9-18)20(25)22-10-12-23(13-11-22)29(26,27)24-14-16-28-17-15-24/h5-9,19H,3-4,10-17H2,1-2H3
InChIKeyLJGXHKZYUYLJFC-UHFFFAOYSA-N
MW424.57 g/mol
LogP0.79
Rot. Bonds7

About 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone

2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone (PubChem CID 56540726) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone
PubChem CID56540726
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C20H32N4O4S/c1-3-21(4-2)19(18-8-6-5-7-9-18)20(25)22-10-12-23(13-11-22)29(26,27)24-14-16-28-17-15-24/h5-9,19H,3-4,10-17H2,1-2H3
InChIKeyLJGXHKZYUYLJFC-UHFFFAOYSA-N
XLogP0.79
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
CID 56538250
2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
1-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 56552712
(2S)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-pyrrol-1-ylbutan-1-one
CID 126427329
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56538556
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-(diethylamino)-1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 56552747
2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56540565
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56546917
N-(4-acetamidophenyl)-2-[ethyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]acetamide
CID 8791437
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone?
The IUPAC name of 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone (CID 56540726) is 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone is CCN(CC)C(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone?
The InChIKey is LJGXHKZYUYLJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-3-21(4-2)19(18-8-6-5-7-9-18)20(25)22-10-12-23(13-11-22)29(26,27)24-14-16-28-17-15-24/h5-9,19H,3-4,10-17H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone?
2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone has a molecular weight of 424.57 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone is sourced from PubChem (CID 56540726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).