4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide

C24H25N3O3S2 — CID 55652135

IUPAC4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C24H25N3O3S2/c1-26(2)32(29,30)19-14-12-18(13-15-19)24(28)25-16-7-17-27-20-8-3-5-10-22(20)31-23-11-6-4-9-21(23)27/h3-6,8-15H,7,16-17H2,1-2H3,(H,25,28)
InChIKeyXSSFQCHLIPSXQF-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.36
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide

4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide (PubChem CID 55652135) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
PubChem CID55652135
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C24H25N3O3S2/c1-26(2)32(29,30)19-14-12-18(13-15-19)24(28)25-16-7-17-27-20-8-3-5-10-22(20)31-23-11-6-4-9-21(23)27/h3-6,8-15H,7,16-17H2,1-2H3,(H,25,28)
InChIKeyXSSFQCHLIPSXQF-UHFFFAOYSA-N
XLogP4.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55621722
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
CID 25010511
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 119731854
N-(4-phenothiazin-10-ylbutyl)methanesulfonamide
CID 11078573
10-[3-(4-butylpiperazin-1-yl)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
CID 90928542
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
1-methyl-N-(3-phenothiazin-10-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78901824

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide (CID 55652135) is 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide?
The InChIKey is XSSFQCHLIPSXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-26(2)32(29,30)19-14-12-18(13-15-19)24(28)25-16-7-17-27-20-8-3-5-10-22(20)31-23-11-6-4-9-21(23)27/h3-6,8-15H,7,16-17H2,1-2H3,(H,25,28).
What are the key properties of 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide?
4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide has a molecular weight of 467.62 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide is sourced from PubChem (CID 55652135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).