N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide

C24H24FN3O4S — CID 55946962

IUPACN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C24H24FN3O4S/c1-2-13-33(31,32)28-22-8-4-6-19(15-22)23(29)26-16-17-5-3-7-21(14-17)27-24(30)18-9-11-20(25)12-10-18/h3-12,14-15,28H,2,13,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyJUPSWDWBBOWQKN-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.16
Rot. Bonds9

About N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide

N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide (PubChem CID 55946962) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
PubChem CID55946962
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C24H24FN3O4S/c1-2-13-33(31,32)28-22-8-4-6-19(15-22)23(29)26-16-17-5-3-7-21(14-17)27-24(30)18-9-11-20(25)12-10-18/h3-12,14-15,28H,2,13,16H2,1H3,(H,26,29)(H,27,30)
InChIKeyJUPSWDWBBOWQKN-UHFFFAOYSA-N
XLogP4.16
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119438206
3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
CID 55948110
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954530
3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide
CID 55948629
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
CID 36766369
2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55893391
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55947983
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide (CID 55946962) is N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1.
What is the InChIKey of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide?
The InChIKey is JUPSWDWBBOWQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-2-13-33(31,32)28-22-8-4-6-19(15-22)23(29)26-16-17-5-3-7-21(14-17)27-24(30)18-9-11-20(25)12-10-18/h3-12,14-15,28H,2,13,16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide?
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide has a molecular weight of 469.54 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 55946962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).