4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine

C27H31FN4O4S — CID 142712803

IUPAC4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine
SMILESCCCc1cnc(N2CC(COc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3F)C2)nc1
InChIInChI=1S/C27H31FN4O4S/c1-2-3-20-15-29-27(30-16-20)31-17-21(18-31)19-36-26-9-6-23(14-25(26)28)22-4-7-24(8-5-22)37(33,34)32-10-12-35-13-11-32/h4-9,14-16,21H,2-3,10-13,17-19H2,1H3
InChIKeyBFJIKEFIEUUIFX-UHFFFAOYSA-N
MW526.63 g/mol
LogP3.77
Rot. Bonds9

About 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine

4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine (PubChem CID 142712803) has the molecular formula C27H31FN4O4S and a molecular weight of 526.63 g/mol. Its IUPAC name is 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine
PubChem CID142712803
Molecular FormulaC27H31FN4O4S
Molecular Weight526.63 g/mol
Exact Mass526.21
IUPAC Name4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine
SMILESCCCc1cnc(N2CC(COc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3F)C2)nc1
InChIInChI=1S/C27H31FN4O4S/c1-2-3-20-15-29-27(30-16-20)31-17-21(18-31)19-36-26-9-6-23(14-25(26)28)22-4-7-24(8-5-22)37(33,34)32-10-12-35-13-11-32/h4-9,14-16,21H,2-3,10-13,17-19H2,1H3
InChIKeyBFJIKEFIEUUIFX-UHFFFAOYSA-N
XLogP3.77
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine with MolForge

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Related Compounds

5-ethyl-2-[3-[[2-fluoro-4-(6-methylsulfonyl-3-pyridinyl)phenoxy]methyl]azetidin-1-yl]pyrimidine
CID 142712728
2-[3-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]azetidin-1-yl]-5-propylpyrimidine
CID 71556526
6-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3-fluorophenyl]-1,3λ4-benzoxathiole 3-oxide
CID 139509630
2-[3-[[2-fluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]azetidin-1-yl]-1,3-benzoxazole
CID 142712783
4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69051251
(1R,5S)-6-[[2,5-difluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]-3-(5-ethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 66837575
(3S)-6-[3-fluoro-4-[[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]-1,3λ4-benzoxathiole 3-oxide
CID 139509688
9-[[5-(2-fluoro-4-methylsulfonylphenyl)-1-methyl-2H-pyrimidin-2-yl]oxymethyl]-7-(5-propylpyrimidin-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonane
CID 123498922
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
6-(4-methylsulfonylphenyl)-2-[(3R)-1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-1,3-benzothiazole
CID 71275500
5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126282
[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methanesulfonic acid
CID 86658031

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine (CID 142712803) is 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine is CCCc1cnc(N2CC(COc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3F)C2)nc1.
What is the InChIKey of 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine?
The InChIKey is BFJIKEFIEUUIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4S/c1-2-3-20-15-29-27(30-16-20)31-17-21(18-31)19-36-26-9-6-23(14-25(26)28)22-4-7-24(8-5-22)37(33,34)32-10-12-35-13-11-32/h4-9,14-16,21H,2-3,10-13,17-19H2,1H3.
What are the key properties of 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine?
4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine has a molecular weight of 526.63 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-fluoro-4-[[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]methoxy]phenyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 142712803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).