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

C21H26N4O5S — CID 56515635

IUPACN-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1
InChIInChI=1S/C21H26N4O5S/c1-21(2,3)25-31(29,30)15-10-8-14(9-11-15)19(27)24-17-7-5-4-6-16(17)20(28)23-13-12-18(22)26/h4-11,25H,12-13H2,1-3H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyITMFWUHKYQCCMT-UHFFFAOYSA-N
MW446.53 g/mol
LogP1.62
Rot. Bonds8

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

N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 56515635) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide
PubChem CID56515635
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1
InChIInChI=1S/C21H26N4O5S/c1-21(2,3)25-31(29,30)15-10-8-14(9-11-15)19(27)24-17-7-5-4-6-16(17)20(28)23-13-12-18(22)26/h4-11,25H,12-13H2,1-3H3,(H2,22,26)(H,23,28)(H,24,27)
InChIKeyITMFWUHKYQCCMT-UHFFFAOYSA-N
XLogP1.62
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.62
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-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 56515640
N-(3-amino-3-oxopropyl)-2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 56572924
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide
CID 56516786
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
CID 55499981
N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 56573149
N-(3-amino-3-oxopropyl)-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzamide
CID 56573138
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide
CID 47085140
6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
CID 119219755

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide (CID 56515635) is N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is ITMFWUHKYQCCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-21(2,3)25-31(29,30)15-10-8-14(9-11-15)19(27)24-17-7-5-4-6-16(17)20(28)23-13-12-18(22)26/h4-11,25H,12-13H2,1-3H3,(H2,22,26)(H,23,28)(H,24,27).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 446.53 g/mol, XLogP of 1.62, 8 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-(tert-butylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 56515635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).