2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone

C22H28N4O5S2 — CID 24613666

IUPAC2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(SCC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C22H28N4O5S2/c1-30-18-2-4-19(5-3-18)32-17-22(27)25-10-8-24(9-11-25)21-7-6-20(16-23-21)33(28,29)26-12-14-31-15-13-26/h2-7,16H,8-15,17H2,1H3
InChIKeyLEGOGBUDKWSEPD-UHFFFAOYSA-N
MW492.62 g/mol
LogP1.55
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone

2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 24613666) has the molecular formula C22H28N4O5S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID24613666
Molecular FormulaC22H28N4O5S2
Molecular Weight492.62 g/mol
Exact Mass492.15
IUPAC Name2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(SCC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C22H28N4O5S2/c1-30-18-2-4-19(5-3-18)32-17-22(27)25-10-8-24(9-11-25)21-7-6-20(16-23-21)33(28,29)26-12-14-31-15-13-26/h2-7,16H,8-15,17H2,1H3
InChIKeyLEGOGBUDKWSEPD-UHFFFAOYSA-N
XLogP1.55
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
2-(3-methoxy-4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598602
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 24668697
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 24598601
1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
N-(5-methyl-1,2-oxazol-3-yl)-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazine-1-carboxamide
CID 24612405
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 42908172
(4-ethyl-5-methylthiophen-2-yl)-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 24584459

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone (CID 24613666) is 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone is COc1ccc(SCC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is LEGOGBUDKWSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S2/c1-30-18-2-4-19(5-3-18)32-17-22(27)25-10-8-24(9-11-25)21-7-6-20(16-23-21)33(28,29)26-12-14-31-15-13-26/h2-7,16H,8-15,17H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 492.62 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24613666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).