N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide

C20H25N3O4S — CID 133231331

IUPACN-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H25N3O4S/c1-5-14(2)21-20(25)17-11-6-7-12-18(17)22-19(24)15-9-8-10-16(13-15)28(26,27)23(3)4/h6-14H,5H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyNXFLKUDZXRXSDH-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.72
Rot. Bonds7

About N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide

N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 133231331) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID133231331
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H25N3O4S/c1-5-14(2)21-20(25)17-11-6-7-12-18(17)22-19(24)15-9-8-10-16(13-15)28(26,27)23(3)4/h6-14H,5H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyNXFLKUDZXRXSDH-UHFFFAOYSA-N
XLogP2.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 34735238
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 90681061
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 19062390
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide (CID 133231331) is N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is NXFLKUDZXRXSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-5-14(2)21-20(25)17-11-6-7-12-18(17)22-19(24)15-9-8-10-16(13-15)28(26,27)23(3)4/h6-14H,5H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide?
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 133231331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).