4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide

C23H28N2O2S2 — CID 55622821

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3cccc(C4SCCS4)c3)cc2)CC(C)O1
InChIInChI=1S/C23H28N2O2S2/c1-16-13-25(14-17(2)27-16)15-18-6-8-19(9-7-18)22(26)24-21-5-3-4-20(12-21)23-28-10-11-29-23/h3-9,12,16-17,23H,10-11,13-15H2,1-2H3,(H,24,26)
InChIKeyLRIHOADNXUISEW-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.03
Rot. Bonds5

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide (PubChem CID 55622821) has the molecular formula C23H28N2O2S2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
PubChem CID55622821
Molecular FormulaC23H28N2O2S2
Molecular Weight428.62 g/mol
Exact Mass428.16
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3cccc(C4SCCS4)c3)cc2)CC(C)O1
InChIInChI=1S/C23H28N2O2S2/c1-16-13-25(14-17(2)27-16)15-18-6-8-19(9-7-18)22(26)24-21-5-3-4-20(12-21)23-28-10-11-29-23/h3-9,12,16-17,23H,10-11,13-15H2,1-2H3,(H,24,26)
InChIKeyLRIHOADNXUISEW-UHFFFAOYSA-N
XLogP5.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26129053
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
4-(dimethylamino)-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 60601174
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424589
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 146477166
N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55625307
N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55624076
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide (CID 55622821) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide is CC1CN(Cc2ccc(C(=O)Nc3cccc(C4SCCS4)c3)cc2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide?
The InChIKey is LRIHOADNXUISEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S2/c1-16-13-25(14-17(2)27-16)15-18-6-8-19(9-7-18)22(26)24-21-5-3-4-20(12-21)23-28-10-11-29-23/h3-9,12,16-17,23H,10-11,13-15H2,1-2H3,(H,24,26).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide has a molecular weight of 428.62 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(1,3-dithiolan-2-yl)phenyl]benzamide is sourced from PubChem (CID 55622821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).