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

C17H21N3O5S — CID 7618911

IUPAC3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C17H21N3O5S/c1-24-15-7-6-13(11-16(15)25-2)17(21)19-9-10-26(22,23)20-12-14-5-3-4-8-18-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyOFPWFMYOZWYHMA-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.95
Rot. Bonds9

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

3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide (PubChem CID 7618911) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
PubChem CID7618911
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C17H21N3O5S/c1-24-15-7-6-13(11-16(15)25-2)17(21)19-9-10-26(22,23)20-12-14-5-3-4-8-18-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyOFPWFMYOZWYHMA-UHFFFAOYSA-N
XLogP0.95
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
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-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
CID 7618819
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide (CID 7618911) is 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide is COc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide?
The InChIKey is OFPWFMYOZWYHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-15-7-6-13(11-16(15)25-2)17(21)19-9-10-26(22,23)20-12-14-5-3-4-8-18-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 7618911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).