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

C25H33N3O6S — CID 2917766

IUPAC4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H33N3O6S/c1-3-13-28(14-4-2)35(31,32)23-11-5-20(6-12-23)25(30)26-21-7-9-22(10-8-21)34-19-24(29)27-15-17-33-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,26,30)
InChIKeyPYIOVQGIPYAQEH-UHFFFAOYSA-N
MW503.62 g/mol
LogP2.99
Rot. Bonds11

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

4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (PubChem CID 2917766) has the molecular formula C25H33N3O6S and a molecular weight of 503.62 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
PubChem CID2917766
Molecular FormulaC25H33N3O6S
Molecular Weight503.62 g/mol
Exact Mass503.21
IUPAC Name4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H33N3O6S/c1-3-13-28(14-4-2)35(31,32)23-11-5-20(6-12-23)25(30)26-21-7-9-22(10-8-21)34-19-24(29)27-15-17-33-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,26,30)
InChIKeyPYIOVQGIPYAQEH-UHFFFAOYSA-N
XLogP2.99
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.62
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (CID 2917766) is 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The InChIKey is PYIOVQGIPYAQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6S/c1-3-13-28(14-4-2)35(31,32)23-11-5-20(6-12-23)25(30)26-21-7-9-22(10-8-21)34-19-24(29)27-15-17-33-18-16-27/h5-12H,3-4,13-19H2,1-2H3,(H,26,30).
What are the key properties of 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide has a molecular weight of 503.62 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is sourced from PubChem (CID 2917766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).