N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide

C18H19F2N5O5S — CID 24511911

IUPACN-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
SMILESCC(On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C18H19F2N5O5S/c1-11(17(26)21-14-6-4-5-7-16(14)29-18(19)20)30-25-15-10-12(31(27,28)24(2)3)8-9-13(15)22-23-25/h4-11,18H,1-3H3,(H,21,26)
InChIKeyJDEMGYWZOPAHJN-UHFFFAOYSA-N
MW455.44 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide

N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide (PubChem CID 24511911) has the molecular formula C18H19F2N5O5S and a molecular weight of 455.44 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
PubChem CID24511911
Molecular FormulaC18H19F2N5O5S
Molecular Weight455.44 g/mol
Exact Mass455.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
SMILESCC(On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C18H19F2N5O5S/c1-11(17(26)21-14-6-4-5-7-16(14)29-18(19)20)30-25-15-10-12(31(27,28)24(2)3)8-9-13(15)22-23-25/h4-11,18H,1-3H3,(H,21,26)
InChIKeyJDEMGYWZOPAHJN-UHFFFAOYSA-N
XLogP1.74
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide
CID 7687183
N-[2-(difluoromethoxy)phenyl]-3-hydroxybenzotriazole-5-sulfonamide
CID 2123020
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18285374
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide
CID 42977235
N-[2-(difluoromethoxy)phenyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46596245
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2635372
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55332147
N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
CID 7696323
N,N-dimethyl-3-[2-(2-methylphenoxy)ethoxy]benzotriazole-5-sulfonamide
CID 7696545
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7960663

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide (CID 24511911) is N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide is CC(On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide?
The InChIKey is JDEMGYWZOPAHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O5S/c1-11(17(26)21-14-6-4-5-7-16(14)29-18(19)20)30-25-15-10-12(31(27,28)24(2)3)8-9-13(15)22-23-25/h4-11,18H,1-3H3,(H,21,26).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide?
N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide has a molecular weight of 455.44 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide is sourced from PubChem (CID 24511911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).