3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C22H27F2N3O4S — CID 2488897

IUPAC3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2ccc(F)c(F)c2)C(C)C)c1
InChIInChI=1S/C22H27F2N3O4S/c1-5-27(6-2)32(30,31)17-9-7-8-15(12-17)21(28)26-20(14(3)4)22(29)25-16-10-11-18(23)19(24)13-16/h7-14,20H,5-6H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1
InChIKeyIYKBAWJSJNTGEC-FQEVSTJZSA-N
MW467.54 g/mol
LogP3.39
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide

3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 2488897) has the molecular formula C22H27F2N3O4S and a molecular weight of 467.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID2488897
Molecular FormulaC22H27F2N3O4S
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC Name3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2ccc(F)c(F)c2)C(C)C)c1
InChIInChI=1S/C22H27F2N3O4S/c1-5-27(6-2)32(30,31)17-9-7-8-15(12-17)21(28)26-20(14(3)4)22(29)25-16-10-11-18(23)19(24)13-16/h7-14,20H,5-6H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1
InChIKeyIYKBAWJSJNTGEC-FQEVSTJZSA-N
XLogP3.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-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

3-(diethylsulfamoyl)-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 6591279
N-[(2R)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 2127097
3-(diethylsulfamoyl)-N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4238182
3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2085095
N-[1-[3-(diethylsulfamoyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 3430865
3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2110705
3-(diethylsulfamoyl)-N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2408560
N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 15945145
N-[(2S)-1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 24539961
3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
CID 40943560
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 55591194

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 2488897) is 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2ccc(F)c(F)c2)C(C)C)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is IYKBAWJSJNTGEC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27F2N3O4S/c1-5-27(6-2)32(30,31)17-9-7-8-15(12-17)21(28)26-20(14(3)4)22(29)25-16-10-11-18(23)19(24)13-16/h7-14,20H,5-6H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 467.54 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2488897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).