5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one

C26H36N4O5S — CID 45208139

IUPAC5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCOc3cccc(CN(C)CC4CCC(=O)N4)c3)CC2)cc1
InChIInChI=1S/C26H36N4O5S/c1-28(20-22-6-11-26(31)27-22)19-21-4-3-5-24(18-21)35-17-16-29-12-14-30(15-13-29)36(32,33)25-9-7-23(34-2)8-10-25/h3-5,7-10,18,22H,6,11-17,19-20H2,1-2H3,(H,27,31)
InChIKeyOKZYGSKYPSKZBP-UHFFFAOYSA-N
MW516.66 g/mol
LogP1.79
Rot. Bonds11

About 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one

5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one (PubChem CID 45208139) has the molecular formula C26H36N4O5S and a molecular weight of 516.66 g/mol. Its IUPAC name is 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
PubChem CID45208139
Molecular FormulaC26H36N4O5S
Molecular Weight516.66 g/mol
Exact Mass516.24
IUPAC Name5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCOc3cccc(CN(C)CC4CCC(=O)N4)c3)CC2)cc1
InChIInChI=1S/C26H36N4O5S/c1-28(20-22-6-11-26(31)27-22)19-21-4-3-5-24(18-21)35-17-16-29-12-14-30(15-13-29)36(32,33)25-9-7-23(34-2)8-10-25/h3-5,7-10,18,22H,6,11-17,19-20H2,1-2H3,(H,27,31)
InChIKeyOKZYGSKYPSKZBP-UHFFFAOYSA-N
XLogP1.79
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(5S)-5-[[[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 26321255
(5R)-5-[[[3-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 26350854
5-[[methyl-[[3-[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one
CID 45243902
5-[[[3-[2-[4-[3-(3-fluorophenyl)benzoyl]piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 45169389
5-[[[3-[2-[4-[3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 74498971
5-[[methyl-[[3-[2-[4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]amino]methyl]pyrrolidin-2-one
CID 45241227
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
1-[3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 42319684
1-[3-(3,4-dichlorophenoxy)propyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 142055515
(5S)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 92613476
2-(3-ethylphenoxy)ethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55309409
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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one (CID 45208139) is 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one is COc1ccc(S(=O)(=O)N2CCN(CCOc3cccc(CN(C)CC4CCC(=O)N4)c3)CC2)cc1.
What is the InChIKey of 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one?
The InChIKey is OKZYGSKYPSKZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5S/c1-28(20-22-6-11-26(31)27-22)19-21-4-3-5-24(18-21)35-17-16-29-12-14-30(15-13-29)36(32,33)25-9-7-23(34-2)8-10-25/h3-5,7-10,18,22H,6,11-17,19-20H2,1-2H3,(H,27,31).
What are the key properties of 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one?
5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 516.66 g/mol, XLogP of 1.79, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethoxy]phenyl]methyl-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 45208139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).