4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide

C19H23N3O5S — CID 26722330

IUPAC4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-20-18(23)15-7-5-14(6-8-15)13-21(2)19(24)16-9-11-17(12-10-16)28(25,26)22(3)27-4/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeyJRZPCVOTUHTVTJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.50
Rot. Bonds7

About 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide

4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 26722330) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID26722330
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-20-18(23)15-7-5-14(6-8-15)13-21(2)19(24)16-9-11-17(12-10-16)28(25,26)22(3)27-4/h5-12H,13H2,1-4H3,(H,20,23)
InChIKeyJRZPCVOTUHTVTJ-UHFFFAOYSA-N
XLogP1.50
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9210483
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
5-(dimethylsulfamoyl)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 8966841
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
N-[(2,4-dimethylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9228053
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
N-[(2,3-dichlorophenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 27773732
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
CID 37417742

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide (CID 26722330) is 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)cc1.
What is the InChIKey of 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is JRZPCVOTUHTVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-20-18(23)15-7-5-14(6-8-15)13-21(2)19(24)16-9-11-17(12-10-16)28(25,26)22(3)27-4/h5-12H,13H2,1-4H3,(H,20,23).
What are the key properties of 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 405.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 26722330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).