3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide

C20H26N2O6S — CID 9219654

IUPAC3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C20H26N2O6S/c1-5-26-17-12-14(13-18(27-6-2)19(17)28-7-3)20(23)22-15-8-10-16(11-9-15)29(24,25)21-4/h8-13,21H,5-7H2,1-4H3,(H,22,23)
InChIKeyIUIMWQYDRJUJNV-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.04
Rot. Bonds10

About 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide

3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide (PubChem CID 9219654) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
PubChem CID9219654
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C20H26N2O6S/c1-5-26-17-12-14(13-18(27-6-2)19(17)28-7-3)20(23)22-15-8-10-16(11-9-15)29(24,25)21-4/h8-13,21H,5-7H2,1-4H3,(H,22,23)
InChIKeyIUIMWQYDRJUJNV-UHFFFAOYSA-N
XLogP3.04
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190067
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
3,4,5-triethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3615359
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
(5-methyl-1,2-oxazol-3-yl)-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]sulfonylazanide
CID 5160416

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide (CID 9219654) is 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is IUIMWQYDRJUJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-5-26-17-12-14(13-18(27-6-2)19(17)28-7-3)20(23)22-15-8-10-16(11-9-15)29(24,25)21-4/h8-13,21H,5-7H2,1-4H3,(H,22,23).
What are the key properties of 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide?
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 422.50 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9219654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).