2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide

C21H30ClN3O4S — CID 55455984

IUPAC2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C21H30ClN3O4S/c1-2-11-23-19(26)16-24-12-14-25(15-13-24)20(27)21(9-3-4-10-21)30(28,29)18-7-5-17(22)6-8-18/h5-8H,2-4,9-16H2,1H3,(H,23,26)
InChIKeyAMRMUKPRTDSXFU-UHFFFAOYSA-N
MW456.01 g/mol
LogP2.10
Rot. Bonds7

About 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide

2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55455984) has the molecular formula C21H30ClN3O4S and a molecular weight of 456.01 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55455984
Molecular FormulaC21H30ClN3O4S
Molecular Weight456.01 g/mol
Exact Mass455.16
IUPAC Name2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C21H30ClN3O4S/c1-2-11-23-19(26)16-24-12-14-25(15-13-24)20(27)21(9-3-4-10-21)30(28,29)18-7-5-17(22)6-8-18/h5-8H,2-4,9-16H2,1H3,(H,23,26)
InChIKeyAMRMUKPRTDSXFU-UHFFFAOYSA-N
XLogP2.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.01
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257303
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-hexylacetamide
CID 8693160
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propylacetamide
CID 8636945
[1-(4-chlorophenyl)sulfonylcyclopentyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 51277317
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)sulfonylcyclopentyl]methanone
CID 120657499
[1-(4-chlorophenyl)sulfonylcyclopentyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112810518
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 24612951
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide (CID 55455984) is 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is AMRMUKPRTDSXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O4S/c1-2-11-23-19(26)16-24-12-14-25(15-13-24)20(27)21(9-3-4-10-21)30(28,29)18-7-5-17(22)6-8-18/h5-8H,2-4,9-16H2,1H3,(H,23,26).
What are the key properties of 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 456.01 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55455984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).