4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C22H29N3O4S — CID 55623953

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)O1
InChIInChI=1S/C22H29N3O4S/c1-16-13-25(14-17(2)29-16)15-19-3-7-20(8-4-19)22(26)24-12-11-18-5-9-21(10-6-18)30(23,27)28/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)(H2,23,27,28)
InChIKeyZOHOENHIYGTYSR-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.92
Rot. Bonds7

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 55623953) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID55623953
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)O1
InChIInChI=1S/C22H29N3O4S/c1-16-13-25(14-17(2)29-16)15-19-3-7-20(8-4-19)22(26)24-12-11-18-5-9-21(10-6-18)30(23,27)28/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)(H2,23,27,28)
InChIKeyZOHOENHIYGTYSR-UHFFFAOYSA-N
XLogP1.92
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108504056
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 55624645
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 46417255
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 36642356
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26824231
N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55624076
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119528441
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515012

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 55623953) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is CC1CN(Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is ZOHOENHIYGTYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-16-13-25(14-17(2)29-16)15-19-3-7-20(8-4-19)22(26)24-12-11-18-5-9-21(10-6-18)30(23,27)28/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)(H2,23,27,28).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 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-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 55623953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).