3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide

C18H29N3O6S — CID 7618847

IUPAC3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H29N3O6S/c1-25-16-5-4-15(14-17(16)26-2)18(22)19-7-13-28(23,24)20-6-3-8-21-9-11-27-12-10-21/h4-5,14,20H,3,6-13H2,1-2H3,(H,19,22)
InChIKeyCULIZYIZLVQBRY-UHFFFAOYSA-N
MW415.51 g/mol
LogP0.08
Rot. Bonds11

About 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide

3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide (PubChem CID 7618847) has the molecular formula C18H29N3O6S and a molecular weight of 415.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
PubChem CID7618847
Molecular FormulaC18H29N3O6S
Molecular Weight415.51 g/mol
Exact Mass415.18
IUPAC Name3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H29N3O6S/c1-25-16-5-4-15(14-17(16)26-2)18(22)19-7-13-28(23,24)20-6-3-8-21-9-11-27-12-10-21/h4-5,14,20H,3,6-13H2,1-2H3,(H,19,22)
InChIKeyCULIZYIZLVQBRY-UHFFFAOYSA-N
XLogP0.08
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]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

3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55656696
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide (CID 7618847) is 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide is COc1ccc(C(=O)NCCS(=O)(=O)NCCCN2CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide?
The InChIKey is CULIZYIZLVQBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O6S/c1-25-16-5-4-15(14-17(16)26-2)18(22)19-7-13-28(23,24)20-6-3-8-21-9-11-27-12-10-21/h4-5,14,20H,3,6-13H2,1-2H3,(H,19,22).
What are the key properties of 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide has a molecular weight of 415.51 g/mol, XLogP of 0.08, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 7618847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).