3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide

C23H39N3O4S — CID 55591194

IUPAC3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)N(C)C(C)CC(C)C)C(C)C)c1
InChIInChI=1S/C23H39N3O4S/c1-9-26(10-2)31(29,30)20-13-11-12-19(15-20)22(27)24-21(17(5)6)23(28)25(8)18(7)14-16(3)4/h11-13,15-18,21H,9-10,14H2,1-8H3,(H,24,27)
InChIKeyFACSGCHGGSKAKG-UHFFFAOYSA-N
MW453.65 g/mol
LogP3.36
Rot. Bonds11

About 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide

3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 55591194) has the molecular formula C23H39N3O4S and a molecular weight of 453.65 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID55591194
Molecular FormulaC23H39N3O4S
Molecular Weight453.65 g/mol
Exact Mass453.27
IUPAC Name3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)N(C)C(C)CC(C)C)C(C)C)c1
InChIInChI=1S/C23H39N3O4S/c1-9-26(10-2)31(29,30)20-13-11-12-19(15-20)22(27)24-21(17(5)6)23(28)25(8)18(7)14-16(3)4/h11-13,15-18,21H,9-10,14H2,1-8H3,(H,24,27)
InChIKeyFACSGCHGGSKAKG-UHFFFAOYSA-N
XLogP3.36
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.65
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 24539961
[1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate
CID 55925997
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-(diethylsulfamoyl)-N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4238182
3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2085095
N-[(2R)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 2127097
3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2488897
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
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

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide (CID 55591194) is 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)N(C)C(C)CC(C)C)C(C)C)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is FACSGCHGGSKAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O4S/c1-9-26(10-2)31(29,30)20-13-11-12-19(15-20)22(27)24-21(17(5)6)23(28)25(8)18(7)14-16(3)4/h11-13,15-18,21H,9-10,14H2,1-8H3,(H,24,27).
What are the key properties of 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide?
3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 453.65 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55591194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).