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

C19H22N4O5S — CID 56515891

IUPACN-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1
InChIInChI=1S/C19H22N4O5S/c1-2-22-29(27,28)14-9-7-13(8-10-14)18(25)23-16-6-4-3-5-15(16)19(26)21-12-11-17(20)24/h3-10,22H,2,11-12H2,1H3,(H2,20,24)(H,21,26)(H,23,25)
InChIKeyJSUZLHGGYCHUFU-UHFFFAOYSA-N
MW418.48 g/mol
LogP0.84
Rot. Bonds9

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

N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 56515891) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID56515891
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1
InChIInChI=1S/C19H22N4O5S/c1-2-22-29(27,28)14-9-7-13(8-10-14)18(25)23-16-6-4-3-5-15(16)19(26)21-12-11-17(20)24/h3-10,22H,2,11-12H2,1H3,(H2,20,24)(H,21,26)(H,23,25)
InChIKeyJSUZLHGGYCHUFU-UHFFFAOYSA-N
XLogP0.84
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-oxopropyl)-2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 56572924
N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide
CID 56515635
N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 56515640
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide
CID 56516786
N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 56573149
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-(ethylsulfamoyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 39498244
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 31971087
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 56784276
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide (CID 56515891) is N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide is CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is JSUZLHGGYCHUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-2-22-29(27,28)14-9-7-13(8-10-14)18(25)23-16-6-4-3-5-15(16)19(26)21-12-11-17(20)24/h3-10,22H,2,11-12H2,1H3,(H2,20,24)(H,21,26)(H,23,25).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 418.48 g/mol, XLogP of 0.84, 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-(ethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 56515891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).