3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide

C23H32N4O4S — CID 40943560

IUPAC3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCCc2ccccn2)C(C)C)c1
InChIInChI=1S/C23H32N4O4S/c1-5-27(6-2)32(30,31)20-12-9-10-18(16-20)22(28)26-21(17(3)4)23(29)25-15-13-19-11-7-8-14-24-19/h7-12,14,16-17,21H,5-6,13,15H2,1-4H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyAOTIBSKKXZHYRO-NRFANRHFSA-N
MW460.60 g/mol
LogP2.23
Rot. Bonds11

About 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide

3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide (PubChem CID 40943560) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
PubChem CID40943560
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC Name3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCCc2ccccn2)C(C)C)c1
InChIInChI=1S/C23H32N4O4S/c1-5-27(6-2)32(30,31)20-12-9-10-18(16-20)22(28)26-21(17(3)4)23(29)25-15-13-19-11-7-8-14-24-19/h7-12,14,16-17,21H,5-6,13,15H2,1-4H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyAOTIBSKKXZHYRO-NRFANRHFSA-N
XLogP2.23
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 2127097
3-(diethylsulfamoyl)-N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2408560
3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2085095
3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2110705
N-[(2S)-1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 24539961
N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 15945145
3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2488897
3-(diethylsulfamoyl)-N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4238182
3-(diethylsulfamoyl)-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 6591279
3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 55591194
N-[(2S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 2126506
[1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate
CID 55925997

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide (CID 40943560) is 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCCc2ccccn2)C(C)C)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The InChIKey is AOTIBSKKXZHYRO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-5-27(6-2)32(30,31)20-12-9-10-18(16-20)22(28)26-21(17(3)4)23(29)25-15-13-19-11-7-8-14-24-19/h7-12,14,16-17,21H,5-6,13,15H2,1-4H3,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide has a molecular weight of 460.60 g/mol, XLogP of 2.23, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 40943560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).