N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide

C21H26N4O5S — CID 46494464

IUPACN-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1
InChIInChI=1S/C21H26N4O5S/c1-3-14(2)25-31(29,30)18-10-8-17(9-11-18)20(27)23-12-15-4-6-16(7-5-15)21(28)24-13-19(22)26/h4-11,14,25H,3,12-13H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)
InChIKeyWFSJKUXVBRROQV-UHFFFAOYSA-N
MW446.53 g/mol
LogP0.91
Rot. Bonds10

About N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide (PubChem CID 46494464) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
PubChem CID46494464
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1
InChIInChI=1S/C21H26N4O5S/c1-3-14(2)25-31(29,30)18-10-8-17(9-11-18)20(27)23-12-15-4-6-16(7-5-15)21(28)24-13-19(22)26/h4-11,14,25H,3,12-13H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)
InChIKeyWFSJKUXVBRROQV-UHFFFAOYSA-N
XLogP0.91
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide with MolForge

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Related Compounds

3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
CID 55724845
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-butan-2-yl]sulfamoyl]benzamide
CID 9314645
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
CID 119713160
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713159
N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide
CID 63730927
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide (CID 46494464) is N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide?
The InChIKey is WFSJKUXVBRROQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-3-14(2)25-31(29,30)18-10-8-17(9-11-18)20(27)23-12-15-4-6-16(7-5-15)21(28)24-13-19(22)26/h4-11,14,25H,3,12-13H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide has a molecular weight of 446.53 g/mol, XLogP of 0.91, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 46494464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).