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

C20H26N2O5S — CID 7618926

IUPAC3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCCCc2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-26-18-11-10-17(15-19(18)27-2)20(23)21-13-14-28(24,25)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,22H,6,9,12-14H2,1-2H3,(H,21,23)
InChIKeyLKUYJAIVVDSFKP-UHFFFAOYSA-N
MW406.50 g/mol
LogP1.99
Rot. Bonds11

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

3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide (PubChem CID 7618926) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
PubChem CID7618926
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCCCc2ccccc2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-26-18-11-10-17(15-19(18)27-2)20(23)21-13-14-28(24,25)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,22H,6,9,12-14H2,1-2H3,(H,21,23)
InChIKeyLKUYJAIVVDSFKP-UHFFFAOYSA-N
XLogP1.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
CID 7618911
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
CID 7618819
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide (CID 7618926) is 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide is COc1ccc(C(=O)NCCS(=O)(=O)NCCCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide?
The InChIKey is LKUYJAIVVDSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-26-18-11-10-17(15-19(18)27-2)20(23)21-13-14-28(24,25)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,22H,6,9,12-14H2,1-2H3,(H,21,23).
What are the key properties of 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide has a molecular weight of 406.50 g/mol, XLogP of 1.99, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 7618926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).