2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C17H26ClN3O3S — CID 18150327

IUPAC2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC(C)C(NCC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O3S/c1-13(2)17(14-4-6-15(18)7-5-14)19-12-16(22)20-8-10-21(11-9-20)25(3,23)24/h4-7,13,17,19H,8-12H2,1-3H3
InChIKeyGLOKXEPYMPAKFC-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.73
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 18150327) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID18150327
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC(C)C(NCC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O3S/c1-13(2)17(14-4-6-15(18)7-5-14)19-12-16(22)20-8-10-21(11-9-20)25(3,23)24/h4-7,13,17,19H,8-12H2,1-3H3
InChIKeyGLOKXEPYMPAKFC-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]ethanone
CID 9132300
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]ethanone
CID 9132302
N-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 166331796
N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8923687
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769582
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[1-(5-methylfuran-2-yl)ethylamino]ethanone
CID 112771094
2-[4-[2-[[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]piperazin-1-yl]-N-methylacetamide
CID 8834464
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55569273
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636098
2-[4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636105
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-1-morpholin-4-ylethanone
CID 78818405

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 18150327) is 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CC(C)C(NCC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is GLOKXEPYMPAKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3S/c1-13(2)17(14-4-6-15(18)7-5-14)19-12-16(22)20-8-10-21(11-9-20)25(3,23)24/h4-7,13,17,19H,8-12H2,1-3H3.
What are the key properties of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 387.93 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 18150327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).