5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

C23H31N3O4S — CID 24981571

IUPAC5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C23H31N3O4S/c1-18-9-10-20(31(28,29)25-16-19-7-5-4-6-8-19)15-21(18)22(27)24-17-23(2,3)26-11-13-30-14-12-26/h4-10,15,25H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyOSLUUQPZDXOIOF-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.31
Rot. Bonds8

About 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (PubChem CID 24981571) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
PubChem CID24981571
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C23H31N3O4S/c1-18-9-10-20(31(28,29)25-16-19-7-5-4-6-8-19)15-21(18)22(27)24-17-23(2,3)26-11-13-30-14-12-26/h4-10,15,25H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyOSLUUQPZDXOIOF-UHFFFAOYSA-N
XLogP2.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (CID 24981571) is 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The InChIKey is OSLUUQPZDXOIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-18-9-10-20(31(28,29)25-16-19-7-5-4-6-8-19)15-21(18)22(27)24-17-23(2,3)26-11-13-30-14-12-26/h4-10,15,25H,11-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide has a molecular weight of 445.59 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 24981571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).