3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide

C24H33N3O4S — CID 55347238

IUPAC3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1
InChIInChI=1S/C24H33N3O4S/c1-2-3-6-20-9-11-22(12-10-20)26-32(29,30)23-8-4-7-21(19-23)24(28)25-13-5-14-27-15-17-31-18-16-27/h4,7-12,19,26H,2-3,5-6,13-18H2,1H3,(H,25,28)
InChIKeyCLHYBJWIBSNPAV-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.28
Rot. Bonds11

About 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide

3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 55347238) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID55347238
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1
InChIInChI=1S/C24H33N3O4S/c1-2-3-6-20-9-11-22(12-10-20)26-32(29,30)23-8-4-7-21(19-23)24(28)25-13-5-14-27-15-17-31-18-16-27/h4,7-12,19,26H,2-3,5-6,13-18H2,1H3,(H,25,28)
InChIKeyCLHYBJWIBSNPAV-UHFFFAOYSA-N
XLogP3.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387130
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 24687436
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55976882
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-[(4-butylphenyl)sulfamoyl]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 32831947
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 55347238) is 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide is CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1.
What is the InChIKey of 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is CLHYBJWIBSNPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-2-3-6-20-9-11-22(12-10-20)26-32(29,30)23-8-4-7-21(19-23)24(28)25-13-5-14-27-15-17-31-18-16-27/h4,7-12,19,26H,2-3,5-6,13-18H2,1H3,(H,25,28).
What are the key properties of 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide?
3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 459.61 g/mol, XLogP of 3.28, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 55347238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).