3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide

C25H28N2O5S — CID 24598977

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
SMILESCOc1ccc2cc(CNC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)ccc2c1
InChIInChI=1S/C25H28N2O5S/c1-17-15-27(16-18(2)32-17)33(29,30)24-6-4-5-22(13-24)25(28)26-14-19-7-8-21-12-23(31-3)10-9-20(21)11-19/h4-13,17-18H,14-16H2,1-3H3,(H,26,28)
InChIKeyLHVUUXDRSFECQE-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.58
Rot. Bonds6

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide (PubChem CID 24598977) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
PubChem CID24598977
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
SMILESCOc1ccc2cc(CNC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)ccc2c1
InChIInChI=1S/C25H28N2O5S/c1-17-15-27(16-18(2)32-17)33(29,30)24-6-4-5-22(13-24)25(28)26-14-19-7-8-21-12-23(31-3)10-9-20(21)11-19/h4-13,17-18H,14-16H2,1-3H3,(H,26,28)
InChIKeyLHVUUXDRSFECQE-UHFFFAOYSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
CID 51317141
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748431
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 23848686
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24504058
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718
N-[2-(4-chlorophenoxy)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43027985
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
N-[(3-chlorophenyl)methyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7959306

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide (CID 24598977) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide is COc1ccc2cc(CNC(=O)c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)ccc2c1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?
The InChIKey is LHVUUXDRSFECQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17-15-27(16-18(2)32-17)33(29,30)24-6-4-5-22(13-24)25(28)26-14-19-7-8-21-12-23(31-3)10-9-20(21)11-19/h4-13,17-18H,14-16H2,1-3H3,(H,26,28).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide is sourced from PubChem (CID 24598977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).