N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide

C24H24N4O5S — CID 56515640

IUPACN-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1
InChIInChI=1S/C24H24N4O5S/c1-16-6-2-4-8-20(16)28-34(32,33)18-12-10-17(11-13-18)23(30)27-21-9-5-3-7-19(21)24(31)26-15-14-22(25)29/h2-13,28H,14-15H2,1H3,(H2,25,29)(H,26,31)(H,27,30)
InChIKeyAHTZGIORGPYAFT-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.65
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide

N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 56515640) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID56515640
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1
InChIInChI=1S/C24H24N4O5S/c1-16-6-2-4-8-20(16)28-34(32,33)18-12-10-17(11-13-18)23(30)27-21-9-5-3-7-19(21)24(31)26-15-14-22(25)29/h2-13,28H,14-15H2,1H3,(H2,25,29)(H,26,31)(H,27,30)
InChIKeyAHTZGIORGPYAFT-UHFFFAOYSA-N
XLogP2.65
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 56515891
N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide
CID 56515635
N-(3-amino-3-oxopropyl)-2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 56572924
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide
CID 56516786
N-[2-(furan-2-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26795706
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 126413403
N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 56573149
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 53279919

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide (CID 56515640) is N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is AHTZGIORGPYAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-16-6-2-4-8-20(16)28-34(32,33)18-12-10-17(11-13-18)23(30)27-21-9-5-3-7-19(21)24(31)26-15-14-22(25)29/h2-13,28H,14-15H2,1H3,(H2,25,29)(H,26,31)(H,27,30).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 480.55 g/mol, XLogP of 2.65, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 56515640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).