N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide

C22H21N3O4S — CID 100620245

IUPACN-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H21N3O4S/c1-23-30(28,29)18-11-7-10-17(14-18)21(26)25-20-13-6-5-12-19(20)22(27)24-15-16-8-3-2-4-9-16/h2-14,23H,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyMJUJNHUSYLCNJI-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.78
Rot. Bonds7

About N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide

N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 100620245) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
PubChem CID100620245
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H21N3O4S/c1-23-30(28,29)18-11-7-10-17(14-18)21(26)25-20-13-6-5-12-19(20)22(27)24-15-16-8-3-2-4-9-16/h2-14,23H,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyMJUJNHUSYLCNJI-UHFFFAOYSA-N
XLogP2.78
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448
N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 34735238
2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133231300
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide (CID 100620245) is N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide is CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is MJUJNHUSYLCNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-23-30(28,29)18-11-7-10-17(14-18)21(26)25-20-13-6-5-12-19(20)22(27)24-15-16-8-3-2-4-9-16/h2-14,23H,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide?
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 423.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 100620245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).