4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine

C21H29N5O4S — CID 122344594

IUPAC4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1C
InChIInChI=1S/C21H29N5O4S/c1-3-30-19-5-4-18(16-17(19)2)31(27,28)26-10-8-24(9-11-26)20-6-7-22-21(23-20)25-12-14-29-15-13-25/h4-7,16H,3,8-15H2,1-2H3
InChIKeyIEYZODYNITYZHW-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.53
Rot. Bonds6

About 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 122344594) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID122344594
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC Name4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1C
InChIInChI=1S/C21H29N5O4S/c1-3-30-19-5-4-18(16-17(19)2)31(27,28)26-10-8-24(9-11-26)20-6-7-22-21(23-20)25-12-14-29-15-13-25/h4-7,16H,3,8-15H2,1-2H3
InChIKeyIEYZODYNITYZHW-UHFFFAOYSA-N
XLogP1.53
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339882
4-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 70703327
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 122340750
3-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341352
4-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 122344661
4-[4-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 56923291
4-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 122343998
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339376
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 122343946
2-methoxy-5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide
CID 122343959

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine (CID 122344594) is 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1C.
What is the InChIKey of 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is IEYZODYNITYZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-3-30-19-5-4-18(16-17(19)2)31(27,28)26-10-8-24(9-11-26)20-6-7-22-21(23-20)25-12-14-29-15-13-25/h4-7,16H,3,8-15H2,1-2H3.
What are the key properties of 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 447.56 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 122344594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).