2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H22N6O5S — CID 18285374

IUPAC2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnn(OC(C)C(=O)Nc3cc(C)on3)c2c1
InChIInChI=1S/C17H22N6O5S/c1-5-22(6-2)29(25,26)13-7-8-14-15(10-13)23(21-19-14)28-12(4)17(24)18-16-9-11(3)27-20-16/h7-10,12H,5-6H2,1-4H3,(H,18,20,24)
InChIKeyWLSAIWNNZKMZLQ-UHFFFAOYSA-N
MW422.47 g/mol
LogP1.21
Rot. Bonds8

About 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 18285374) has the molecular formula C17H22N6O5S and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID18285374
Molecular FormulaC17H22N6O5S
Molecular Weight422.47 g/mol
Exact Mass422.14
IUPAC Name2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnn(OC(C)C(=O)Nc3cc(C)on3)c2c1
InChIInChI=1S/C17H22N6O5S/c1-5-22(6-2)29(25,26)13-7-8-14-15(10-13)23(21-19-14)28-12(4)17(24)18-16-9-11(3)27-20-16/h7-10,12H,5-6H2,1-4H3,(H,18,20,24)
InChIKeyWLSAIWNNZKMZLQ-UHFFFAOYSA-N
XLogP1.21
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide
CID 42977235
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46320685
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxybutanamide
CID 24533977
N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511902
N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide
CID 7919254
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503197
methyl 5-[2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 31471997
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(propylsulfamoyl)benzoate
CID 18226146
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 26012031
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 31556979

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 18285374) is 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc2nnn(OC(C)C(=O)Nc3cc(C)on3)c2c1.
What is the InChIKey of 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is WLSAIWNNZKMZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O5S/c1-5-22(6-2)29(25,26)13-7-8-14-15(10-13)23(21-19-14)28-12(4)17(24)18-16-9-11(3)27-20-16/h7-10,12H,5-6H2,1-4H3,(H,18,20,24).
What are the key properties of 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 422.47 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 18285374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).