4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide

C20H23N3O3S — CID 2489290

IUPAC4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1
InChIInChI=1S/C20H23N3O3S/c1-22(2)27(25,26)18-10-8-17(9-11-18)20(24)21-13-5-14-23-15-12-16-6-3-4-7-19(16)23/h3-4,6-12,15H,5,13-14H2,1-2H3,(H,21,24)
InChIKeyAQLYUOIMCBVACF-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.71
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide

4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide (PubChem CID 2489290) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
PubChem CID2489290
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1
InChIInChI=1S/C20H23N3O3S/c1-22(2)27(25,26)18-10-8-17(9-11-18)20(24)21-13-5-14-23-15-12-16-6-3-4-7-19(16)23/h3-4,6-12,15H,5,13-14H2,1-2H3,(H,21,24)
InChIKeyAQLYUOIMCBVACF-UHFFFAOYSA-N
XLogP2.71
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 17495544
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261
4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55652135
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide (CID 2489290) is 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide?
The InChIKey is AQLYUOIMCBVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-22(2)27(25,26)18-10-8-17(9-11-18)20(24)21-13-5-14-23-15-12-16-6-3-4-7-19(16)23/h3-4,6-12,15H,5,13-14H2,1-2H3,(H,21,24).
What are the key properties of 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide?
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide has a molecular weight of 385.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide is sourced from PubChem (CID 2489290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).