N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine

C22H23F3N4O4S — CID 74226388

IUPACN,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCOC(COc4ccnc(C(F)(F)F)n4)C3)cccc12
InChIInChI=1S/C22H23F3N4O4S/c1-28(2)18-7-3-6-17-16(18)5-4-8-19(17)34(30,31)29-11-12-32-15(13-29)14-33-20-9-10-26-21(27-20)22(23,24)25/h3-10,15H,11-14H2,1-2H3
InChIKeyNXQBHLKEECIAOK-UHFFFAOYSA-N
MW496.51 g/mol
LogP3.18
Rot. Bonds6

About N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine

N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine (PubChem CID 74226388) has the molecular formula C22H23F3N4O4S and a molecular weight of 496.51 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine
PubChem CID74226388
Molecular FormulaC22H23F3N4O4S
Molecular Weight496.51 g/mol
Exact Mass496.14
IUPAC NameN,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCOC(COc4ccnc(C(F)(F)F)n4)C3)cccc12
InChIInChI=1S/C22H23F3N4O4S/c1-28(2)18-7-3-6-17-16(18)5-4-8-19(17)34(30,31)29-11-12-32-15(13-29)14-33-20-9-10-26-21(27-20)22(23,24)25/h3-10,15H,11-14H2,1-2H3
InChIKeyNXQBHLKEECIAOK-UHFFFAOYSA-N
XLogP3.18
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine?
The IUPAC name of N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine (CID 74226388) is N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine is CN(C)c1cccc2c(S(=O)(=O)N3CCOC(COc4ccnc(C(F)(F)F)n4)C3)cccc12.
What is the InChIKey of N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine?
The InChIKey is NXQBHLKEECIAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4S/c1-28(2)18-7-3-6-17-16(18)5-4-8-19(17)34(30,31)29-11-12-32-15(13-29)14-33-20-9-10-26-21(27-20)22(23,24)25/h3-10,15H,11-14H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine?
N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine has a molecular weight of 496.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]sulfonylnaphthalen-1-amine is sourced from PubChem (CID 74226388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).