2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide

C20H32N4O4S — CID 55410721

IUPAC2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H32N4O4S/c1-4-22(5-2)19(25)15-21(3)16-20(26)23-11-13-24(14-12-23)29(27,28)17-18-9-7-6-8-10-18/h6-10H,4-5,11-17H2,1-3H3
InChIKeyVVJHYYQBJPYNEN-UHFFFAOYSA-N
MW424.57 g/mol
LogP0.46
Rot. Bonds9

About 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide

2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide (PubChem CID 55410721) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide
PubChem CID55410721
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H32N4O4S/c1-4-22(5-2)19(25)15-21(3)16-20(26)23-11-13-24(14-12-23)29(27,28)17-18-9-7-6-8-10-18/h6-10H,4-5,11-17H2,1-3H3
InChIKeyVVJHYYQBJPYNEN-UHFFFAOYSA-N
XLogP0.46
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911648
N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915195
2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 26624889
1-(4-benzylsulfonylpiperazin-1-yl)-2-ethylbutan-1-one
CID 78779180
1-(4-benzylsulfonylpiperazin-1-yl)-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]ethanone
CID 55838311
1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethanone
CID 26625805
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
2-[benzyl(prop-2-enyl)amino]-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 55598926
4-amino-1-(4-benzylsulfonylpiperazin-1-yl)-3-methoxybutan-1-one
CID 120587104
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899
1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
CID 56538250
1-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-chloroethanone
CID 156907199

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide (CID 55410721) is 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide?
The InChIKey is VVJHYYQBJPYNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-4-22(5-2)19(25)15-21(3)16-20(26)23-11-13-24(14-12-23)29(27,28)17-18-9-7-6-8-10-18/h6-10H,4-5,11-17H2,1-3H3.
What are the key properties of 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide?
2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide has a molecular weight of 424.57 g/mol, XLogP of 0.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 55410721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).