3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide

C21H20N2O4S — CID 33098006

IUPAC3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H20N2O4S/c1-27-22-21(24)18-11-8-14-20(15-18)28(25,26)23(19-12-6-3-7-13-19)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3,(H,22,24)
InChIKeyAEAGSDWRMXMGQR-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.37
Rot. Bonds7

About 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide

3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide (PubChem CID 33098006) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide.

Molecular Properties

Compound Name3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
PubChem CID33098006
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H20N2O4S/c1-27-22-21(24)18-11-8-14-20(15-18)28(25,26)23(19-12-6-3-7-13-19)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3,(H,22,24)
InChIKeyAEAGSDWRMXMGQR-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
[2-(ethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 2610488
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 2610500
[2-(diethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 40919367
3-oxobutan-2-yl 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 18286020
[2-oxo-2-(prop-2-enylamino)ethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 2610490
[2-(cyclopropylamino)-2-oxoethyl] 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598669
3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 68619894
(3,3-dimethyl-2-oxobutyl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598663
(1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 4802055
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 98418866
3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
CID 46182236

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide?
The IUPAC name of 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide (CID 33098006) is 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide.
What is the SMILES notation for 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide?
The canonical SMILES for 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide is CONC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide?
The InChIKey is AEAGSDWRMXMGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-22-21(24)18-11-8-14-20(15-18)28(25,26)23(19-12-6-3-7-13-19)16-17-9-4-2-5-10-17/h2-15H,16H2,1H3,(H,22,24).
What are the key properties of 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide?
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide has a molecular weight of 396.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide is sourced from PubChem (CID 33098006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).