1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone

C21H28ClN3O3S2 — CID 55861422

IUPAC1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone
SMILESCC(C)(C)C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1cccs1
InChIInChI=1S/C21H28ClN3O3S2/c1-21(2,3)20(17-8-6-14-29-17)23-15-19(26)24-10-12-25(13-11-24)30(27,28)18-9-5-4-7-16(18)22/h4-9,14,20,23H,10-13,15H2,1-3H3
InChIKeyDJIDBDYXYHUQLY-UHFFFAOYSA-N
MW470.06 g/mol
LogP3.61
Rot. Bonds6

About 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone

1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone (PubChem CID 55861422) has the molecular formula C21H28ClN3O3S2 and a molecular weight of 470.06 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone
PubChem CID55861422
Molecular FormulaC21H28ClN3O3S2
Molecular Weight470.06 g/mol
Exact Mass469.13
IUPAC Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone
SMILESCC(C)(C)C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1cccs1
InChIInChI=1S/C21H28ClN3O3S2/c1-21(2,3)20(17-8-6-14-29-17)23-15-19(26)24-10-12-25(13-11-24)30(27,28)18-9-5-4-7-16(18)22/h4-9,14,20,23H,10-13,15H2,1-3H3
InChIKeyDJIDBDYXYHUQLY-UHFFFAOYSA-N
XLogP3.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.06
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone with MolForge

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769582
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 55410744
1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769581
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide
CID 27800102
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9240158
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
CID 56538813
N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 9239660
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 9239713
2-(4-chlorophenoxy)-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 27799783
[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-ethoxyacetate
CID 9289640
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone
CID 112764850

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone (CID 55861422) is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone is CC(C)(C)C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1cccs1.
What is the InChIKey of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone?
The InChIKey is DJIDBDYXYHUQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S2/c1-21(2,3)20(17-8-6-14-29-17)23-15-19(26)24-10-12-25(13-11-24)30(27,28)18-9-5-4-7-16(18)22/h4-9,14,20,23H,10-13,15H2,1-3H3.
What are the key properties of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone?
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone has a molecular weight of 470.06 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethanone is sourced from PubChem (CID 55861422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).