3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

C22H27N3O5S — CID 3240611

IUPAC3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O5S/c1-3-25(4-2)31(28,29)18-9-7-8-17(16-18)21(26)23-20-11-6-5-10-19(20)22(27)24-12-14-30-15-13-24/h5-11,16H,3-4,12-15H2,1-2H3,(H,23,26)
InChIKeyONAPSDUEBMOUPI-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.44
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 3240611) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID3240611
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H27N3O5S/c1-3-25(4-2)31(28,29)18-9-7-8-17(16-18)21(26)23-20-11-6-5-10-19(20)22(27)24-12-14-30-15-13-24/h5-11,16H,3-4,12-15H2,1-2H3,(H,23,26)
InChIKeyONAPSDUEBMOUPI-UHFFFAOYSA-N
XLogP2.44
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (CID 3240611) is 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is ONAPSDUEBMOUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-3-25(4-2)31(28,29)18-9-7-8-17(16-18)21(26)23-20-11-6-5-10-19(20)22(27)24-12-14-30-15-13-24/h5-11,16H,3-4,12-15H2,1-2H3,(H,23,26).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 3240611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).