N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide

C19H21N3O4S — CID 17401615

IUPACN-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C19H21N3O4S/c1-26-18-8-7-15(27(20,24)25)13-16(18)19(23)21-10-4-11-22-12-9-14-5-2-3-6-17(14)22/h2-3,5-9,12-13H,4,10-11H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyYWIZWWFYVQSBPR-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.12
Rot. Bonds7

About N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide

N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide (PubChem CID 17401615) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
PubChem CID17401615
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C19H21N3O4S/c1-26-18-8-7-15(27(20,24)25)13-16(18)19(23)21-10-4-11-22-12-9-14-5-2-3-6-17(14)22/h2-3,5-9,12-13H,4,10-11H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyYWIZWWFYVQSBPR-UHFFFAOYSA-N
XLogP2.12
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide 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

2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
2-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-5-sulfamoylbenzamide
CID 9499127

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide (CID 17401615) is N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is YWIZWWFYVQSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-26-18-8-7-15(27(20,24)25)13-16(18)19(23)21-10-4-11-22-12-9-14-5-2-3-6-17(14)22/h2-3,5-9,12-13H,4,10-11H2,1H3,(H,21,23)(H2,20,24,25).
What are the key properties of N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide?
N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 387.46 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 17401615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).