2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone

C123H182N16O32S8 — CID 159017557

IUPAC2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1.CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/3C16H24N2O4S.5C15H22N2O4S/c2*1-3-12-23(20,21)18-10-8-17(9-11-18)16(19)13-22-15-6-4-14(2)5-7-15;1-3-14-5-7-15(8-6-14)22-13-16(19)17-9-11-18(12-10-17)23(20,21)4-2;3*1-3-22(19,20)17-10-8-16(9-11-17)15(18)12-21-14-6-4-13(2)5-7-14;1-3-22(19,20)17-9-7-16(8-10-17)15(18)12-21-14-6-4-5-13(2)11-14;1-2-12-22(19,20)17-10-8-16(9-11-17)15(18)13-21-14-6-4-3-5-7-14/h2*4-7H,3,8-13H2,1-2H3;5-8H,3-4,9-13H2,1-2H3;3*4-7H,3,8-12H2,1-2H3;4-6,11H,3,7-10,12H2,1-2H3;3-7H,2,8-13H2,1H3
InChIKeyJTGZPRBOZGKCTM-UHFFFAOYSA-N
MW2653.42 g/mol
LogP8.06
Rot. Bonds44

About 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone

2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone (PubChem CID 159017557) has the molecular formula C123H182N16O32S8 and a molecular weight of 2653.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
PubChem CID159017557
Molecular FormulaC123H182N16O32S8
Molecular Weight2653.42 g/mol
Exact Mass2651.09
IUPAC Name2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1.CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/3C16H24N2O4S.5C15H22N2O4S/c2*1-3-12-23(20,21)18-10-8-17(9-11-18)16(19)13-22-15-6-4-14(2)5-7-15;1-3-14-5-7-15(8-6-14)22-13-16(19)17-9-11-18(12-10-17)23(20,21)4-2;3*1-3-22(19,20)17-10-8-16(9-11-17)15(18)12-21-14-6-4-13(2)5-7-14;1-3-22(19,20)17-9-7-16(8-10-17)15(18)12-21-14-6-4-5-13(2)11-14;1-2-12-22(19,20)17-10-8-16(9-11-17)15(18)13-21-14-6-4-3-5-7-14/h2*4-7H,3,8-13H2,1-2H3;5-8H,3-4,9-13H2,1-2H3;3*4-7H,3,8-12H2,1-2H3;4-6,11H,3,7-10,12H2,1-2H3;3-7H,2,8-13H2,1H3
InChIKeyJTGZPRBOZGKCTM-UHFFFAOYSA-N
XLogP8.06
TPSA535.36 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002653.42
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798756
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 1151700
2-(4-chlorophenoxy)-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798767
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 9298614
2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 1151528
2-(4-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 48867699
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 38522553
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone (CID 159017557) is 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone is CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1.CCS(=O)(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1.CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)CC)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is JTGZPRBOZGKCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H24N2O4S.5C15H22N2O4S/c2*1-3-12-23(20,21)18-10-8-17(9-11-18)16(19)13-22-15-6-4-14(2)5-7-15;1-3-14-5-7-15(8-6-14)22-13-16(19)17-9-11-18(12-10-17)23(20,21)4-2;3*1-3-22(19,20)17-10-8-16(9-11-17)15(18)12-21-14-6-4-13(2)5-7-14;1-3-22(19,20)17-9-7-16(8-10-17)15(18)12-21-14-6-4-5-13(2)11-14;1-2-12-22(19,20)17-10-8-16(9-11-17)15(18)13-21-14-6-4-3-5-7-14/h2*4-7H,3,8-13H2,1-2H3;5-8H,3-4,9-13H2,1-2H3;3*4-7H,3,8-12H2,1-2H3;4-6,11H,3,7-10,12H2,1-2H3;3-7H,2,8-13H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 2653.42 g/mol, XLogP of 8.06, 44 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-(4-ethylsulfonylpiperazin-1-yl)ethanone;1-(4-ethylsulfonylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone;tris(1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone);bis(2-(4-methylphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone);2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159017557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).