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

C24H32N2O5S — CID 55748431

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1
InChIInChI=1S/C24H32N2O5S/c1-17(2)30-16-21-8-5-7-20(11-21)13-25-24(27)22-9-6-10-23(12-22)32(28,29)26-14-18(3)31-19(4)15-26/h5-12,17-19H,13-16H2,1-4H3,(H,25,27)
InChIKeyGXVFIWDFUXJJGS-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.34
Rot. Bonds8

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

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 55748431) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
PubChem CID55748431
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1
InChIInChI=1S/C24H32N2O5S/c1-17(2)30-16-21-8-5-7-20(11-21)13-25-24(27)22-9-6-10-23(12-22)32(28,29)26-14-18(3)31-19(4)15-26/h5-12,17-19H,13-16H2,1-4H3,(H,25,27)
InChIKeyGXVFIWDFUXJJGS-UHFFFAOYSA-N
XLogP3.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 24598977
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-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24504058
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55370203
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenylpropyl)benzamide
CID 43010790
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55797464
N-[(3-chlorophenyl)methyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7959306
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-6-methylheptan-2-yl]benzamide
CID 25486199
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 119607731
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119607730

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide (CID 55748431) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide is CC(C)OCc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)c1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is GXVFIWDFUXJJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-17(2)30-16-21-8-5-7-20(11-21)13-25-24(27)22-9-6-10-23(12-22)32(28,29)26-14-18(3)31-19(4)15-26/h5-12,17-19H,13-16H2,1-4H3,(H,25,27).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 460.60 g/mol, XLogP of 3.34, 8 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-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55748431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).