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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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).