4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

C24H33N3O4S — CID 26917326

IUPAC4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C24H33N3O4S/c1-16(2)21(26-22(28)17-11-13-18(14-12-17)24(3,4)5)23(29)25-19-9-8-10-20(15-19)32(30,31)27(6)7/h8-16,21H,1-7H3,(H,25,29)(H,26,28)/t21-/m1/s1
InChIKeyYORZDIIJXIOITJ-OAQYLSRUSA-N
MW459.61 g/mol
LogP3.63
Rot. Bonds7

About 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 26917326) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID26917326
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C24H33N3O4S/c1-16(2)21(26-22(28)17-11-13-18(14-12-17)24(3,4)5)23(29)25-19-9-8-10-20(15-19)32(30,31)27(6)7/h8-16,21H,1-7H3,(H,25,29)(H,26,28)/t21-/m1/s1
InChIKeyYORZDIIJXIOITJ-OAQYLSRUSA-N
XLogP3.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55343497
N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 18163583
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 26654085
4-chloro-N-[3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 55416259
N-[1-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 55655480
N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24635519
1-(4-tert-butylphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800335
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 2079994
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
4-tert-butyl-N-[(2S)-1-(3-chloro-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 7611252

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 26917326) is 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is YORZDIIJXIOITJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-16(2)21(26-22(28)17-11-13-18(14-12-17)24(3,4)5)23(29)25-19-9-8-10-20(15-19)32(30,31)27(6)7/h8-16,21H,1-7H3,(H,25,29)(H,26,28)/t21-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 459.61 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 26917326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).