3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C24H33N3O4S — CID 2085095

IUPAC3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)c1
InChIInChI=1S/C24H33N3O4S/c1-7-27(8-2)32(30,31)20-13-10-12-19(15-20)23(28)26-22(16(3)4)24(29)25-21-14-9-11-17(5)18(21)6/h9-16,22H,7-8H2,1-6H3,(H,25,29)(H,26,28)/t22-/m1/s1
InChIKeyMRYOZCJIDDAJNV-JOCHJYFZSA-N
MW459.61 g/mol
LogP3.73
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide

3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 2085095) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID2085095
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)c1
InChIInChI=1S/C24H33N3O4S/c1-7-27(8-2)32(30,31)20-13-10-12-19(15-20)23(28)26-22(16(3)4)24(29)25-21-14-9-11-17(5)18(21)6/h9-16,22H,7-8H2,1-6H3,(H,25,29)(H,26,28)/t22-/m1/s1
InChIKeyMRYOZCJIDDAJNV-JOCHJYFZSA-N
XLogP3.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
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N-[(2S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 2085095) is 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2cccc(C)c2C)C(C)C)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is MRYOZCJIDDAJNV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-7-27(8-2)32(30,31)20-13-10-12-19(15-20)23(28)26-22(16(3)4)24(29)25-21-14-9-11-17(5)18(21)6/h9-16,22H,7-8H2,1-6H3,(H,25,29)(H,26,28)/t22-/m1/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 459.61 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2085095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).