4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide

C24H25N3O4S — CID 3147868

IUPAC4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C24H25N3O4S/c28-24(20-8-6-19(7-9-20)18-27-14-16-31-17-15-27)25-21-10-12-23(13-11-21)32(29,30)26-22-4-2-1-3-5-22/h1-13,26H,14-18H2,(H,25,28)
InChIKeyUAPNQKKMBMOAPN-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.57
Rot. Bonds7

About 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide

4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 3147868) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID3147868
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C24H25N3O4S/c28-24(20-8-6-19(7-9-20)18-27-14-16-31-17-15-27)25-21-10-12-23(13-11-21)32(29,30)26-22-4-2-1-3-5-22/h1-13,26H,14-18H2,(H,25,28)
InChIKeyUAPNQKKMBMOAPN-UHFFFAOYSA-N
XLogP3.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 3147868) is 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is UAPNQKKMBMOAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-24(20-8-6-19(7-9-20)18-27-14-16-31-17-15-27)25-21-10-12-23(13-11-21)32(29,30)26-22-4-2-1-3-5-22/h1-13,26H,14-18H2,(H,25,28).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 3147868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).