N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide

C25H27N3O4S — CID 19062390

IUPACN-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-4-18(3)26-25(30)22-10-5-6-11-23(22)27-24(29)19-8-7-9-20(16-19)28-33(31,32)21-14-12-17(2)13-15-21/h5-16,18,28H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyPOTHFRDXRBIIMV-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.58
Rot. Bonds8

About N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide

N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide (PubChem CID 19062390) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
PubChem CID19062390
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-4-18(3)26-25(30)22-10-5-6-11-23(22)27-24(29)19-8-7-9-20(16-19)28-33(31,32)21-14-12-17(2)13-15-21/h5-16,18,28H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyPOTHFRDXRBIIMV-UHFFFAOYSA-N
XLogP4.58
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 90681061
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2R)-butan-2-yl]-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 34735238
N-butan-2-yl-2-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzamide
CID 43923588
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214
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-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide (CID 19062390) is N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The InChIKey is POTHFRDXRBIIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-18(3)26-25(30)22-10-5-6-11-23(22)27-24(29)19-8-7-9-20(16-19)28-33(31,32)21-14-12-17(2)13-15-21/h5-16,18,28H,4H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide is sourced from PubChem (CID 19062390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).