4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

C21H25N3O6S — CID 1277944

IUPAC4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O6S/c1-23(2)31(27,28)19-9-3-16(4-10-19)21(26)22-17-5-7-18(8-6-17)30-15-20(25)24-11-13-29-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,26)
InChIKeyDQIYGDCLQGKCPR-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.43
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (PubChem CID 1277944) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
PubChem CID1277944
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O6S/c1-23(2)31(27,28)19-9-3-16(4-10-19)21(26)22-17-5-7-18(8-6-17)30-15-20(25)24-11-13-29-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,26)
InChIKeyDQIYGDCLQGKCPR-UHFFFAOYSA-N
XLogP1.43
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (CID 1277944) is 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The InChIKey is DQIYGDCLQGKCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-23(2)31(27,28)19-9-3-16(4-10-19)21(26)22-17-5-7-18(8-6-17)30-15-20(25)24-11-13-29-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide has a molecular weight of 447.51 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is sourced from PubChem (CID 1277944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).