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

C24H25N3O3S2 — CID 55621722

IUPAC3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C24H25N3O3S2/c1-26(2)32(29,30)19-10-7-9-18(17-19)24(28)25-15-8-16-27-20-11-3-5-13-22(20)31-23-14-6-4-12-21(23)27/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,25,28)
InChIKeyDLAIUVSHHTYBTA-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.36
Rot. Bonds7

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

3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide (PubChem CID 55621722) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
PubChem CID55621722
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C24H25N3O3S2/c1-26(2)32(29,30)19-10-7-9-18(17-19)24(28)25-15-8-16-27-20-11-3-5-13-22(20)31-23-14-6-4-12-21(23)27/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,25,28)
InChIKeyDLAIUVSHHTYBTA-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'}

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55652135
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
CID 25010511
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(dimethylsulfamoyl)benzamide
CID 6520208
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
N-[2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(dimethylsulfamoyl)benzamide
CID 2122246
10-[3-(4-butylpiperazin-1-yl)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
CID 90928542
[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
CID 8916153
3-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196838

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide (CID 55621722) is 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide?
The InChIKey is DLAIUVSHHTYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-26(2)32(29,30)19-10-7-9-18(17-19)24(28)25-15-8-16-27-20-11-3-5-13-22(20)31-23-14-6-4-12-21(23)27/h3-7,9-14,17H,8,15-16H2,1-2H3,(H,25,28).
What are the key properties of 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide?
3-(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 3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide is sourced from PubChem (CID 55621722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).