2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C17H27N3O3S — CID 55827974

IUPAC2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCCN(CCc1ccccc1)CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-18(10-9-16-7-5-4-6-8-16)15-17(21)19-11-13-20(14-12-19)24(2,22)23/h4-8H,3,9-15H2,1-2H3
InChIKeyNDANSQGLQBZRMJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.65
Rot. Bonds7

About 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 55827974) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID55827974
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCCN(CCc1ccccc1)CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-18(10-9-16-7-5-4-6-8-16)15-17(21)19-11-13-20(14-12-19)24(2,22)23/h4-8H,3,9-15H2,1-2H3
InChIKeyNDANSQGLQBZRMJ-UHFFFAOYSA-N
XLogP0.65
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832
1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone
CID 111121802
1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethanone
CID 26625805
2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120872205
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 45374408
N,N-dimethyl-4-(3-phenylpropanoyl)piperazine-1-sulfonamide
CID 32502208
1-(4-methylsulfonylpiperazin-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 29136351
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylbutan-1-one
CID 110346854
2-[[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N,N-diethylacetamide
CID 55410721
2-[methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]acetic acid
CID 43442487
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 1021969

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 55827974) is 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CCN(CCc1ccccc1)CC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is NDANSQGLQBZRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-18(10-9-16-7-5-4-6-8-16)15-17(21)19-11-13-20(14-12-19)24(2,22)23/h4-8H,3,9-15H2,1-2H3.
What are the key properties of 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 353.49 g/mol, XLogP of 0.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-phenylethyl)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55827974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).