4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C22H34N4O4S — CID 46319212

IUPAC4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)CCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C22H34N4O4S/c1-2-19-6-8-20(9-7-19)31(29,30)26(15-4-14-24-13-3-5-21(24)27)16-10-22(28)25-17-11-23-12-18-25/h6-9,23H,2-5,10-18H2,1H3
InChIKeyDHTQVYMLHDHGDE-UHFFFAOYSA-N
MW450.61 g/mol
LogP1.07
Rot. Bonds10

About 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 46319212) has the molecular formula C22H34N4O4S and a molecular weight of 450.61 g/mol. Its IUPAC name is 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID46319212
Molecular FormulaC22H34N4O4S
Molecular Weight450.61 g/mol
Exact Mass450.23
IUPAC Name4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)CCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C22H34N4O4S/c1-2-19-6-8-20(9-7-19)31(29,30)26(15-4-14-24-13-3-5-21(24)27)16-10-22(28)25-17-11-23-12-18-25/h6-9,23H,2-5,10-18H2,1H3
InChIKeyDHTQVYMLHDHGDE-UHFFFAOYSA-N
XLogP1.07
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056549
4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 50775815
N-cyclopentyl-4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776137
N-ethyl-4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775995
4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056747
4-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 50788442
4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056500
N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50775970
4-ethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 50775980
4-ethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50776125
4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146061694
4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056610

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 46319212) is 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)CCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is DHTQVYMLHDHGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4S/c1-2-19-6-8-20(9-7-19)31(29,30)26(15-4-14-24-13-3-5-21(24)27)16-10-22(28)25-17-11-23-12-18-25/h6-9,23H,2-5,10-18H2,1H3.
What are the key properties of 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 450.61 g/mol, XLogP of 1.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 46319212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).