4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide

C20H21N3O5S — CID 56684183

IUPAC4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C20H21N3O5S/c1-27-10-9-21-20(24)15-7-8-18(28-2)19(12-15)29(25,26)23-16-11-14-5-3-4-6-17(14)22-13-16/h3-8,11-13,23H,9-10H2,1-2H3,(H,21,24)
InChIKeyVGDAHADLEYZJNG-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.42
Rot. Bonds8

About 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide

4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide (PubChem CID 56684183) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide
PubChem CID56684183
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C20H21N3O5S/c1-27-10-9-21-20(24)15-7-8-18(28-2)19(12-15)29(25,26)23-16-11-14-5-3-4-6-17(14)22-13-16/h3-8,11-13,23H,9-10H2,1-2H3,(H,21,24)
InChIKeyVGDAHADLEYZJNG-UHFFFAOYSA-N
XLogP2.42
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-methoxy-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684157
4-methoxy-N-(2-methoxyethyl)-3-(pyridin-3-ylsulfamoyl)benzamide
CID 56684218
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
5-(furan-3-yl)-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
CID 56684216
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide
CID 71462063
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide
CID 29330284

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide (CID 56684183) is 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide is COCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide?
The InChIKey is VGDAHADLEYZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-27-10-9-21-20(24)15-7-8-18(28-2)19(12-15)29(25,26)23-16-11-14-5-3-4-6-17(14)22-13-16/h3-8,11-13,23H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide?
4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide has a molecular weight of 415.47 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 56684183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).