4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide

C20H26N2O5S — CID 46586645

IUPAC4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-22(6-2)28(24,25)19-9-7-16(8-10-19)20(23)21-14-15-11-17(26-3)13-18(12-15)27-4/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyALORGRZIXQSNSA-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.66
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide

4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide (PubChem CID 46586645) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
PubChem CID46586645
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-22(6-2)28(24,25)19-9-7-16(8-10-19)20(23)21-14-15-11-17(26-3)13-18(12-15)27-4/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyALORGRZIXQSNSA-UHFFFAOYSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 55761276
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782686
4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867195
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
CID 7603394
4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549009
4-(diethylsulfamoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524736
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
4-[ethyl(phenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2093106
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide (CID 46586645) is 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
The InChIKey is ALORGRZIXQSNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-22(6-2)28(24,25)19-9-7-16(8-10-19)20(23)21-14-15-11-17(26-3)13-18(12-15)27-4/h7-13H,5-6,14H2,1-4H3,(H,21,23).
What are the key properties of 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide?
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide has a molecular weight of 406.50 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46586645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).