2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide

C15H22N4O4S — CID 7701578

IUPAC2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)COn1nnc2ccc(S(C)(=O)=O)cc21)C(C)C
InChIInChI=1S/C15H22N4O4S/c1-10(2)18(11(3)4)15(20)9-23-19-14-8-12(24(5,21)22)6-7-13(14)16-17-19/h6-8,10-11H,9H2,1-5H3
InChIKeyWKGUWJKBBQVJRT-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.91
Rot. Bonds6

About 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide

2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide (PubChem CID 7701578) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide
PubChem CID7701578
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)COn1nnc2ccc(S(C)(=O)=O)cc21)C(C)C
InChIInChI=1S/C15H22N4O4S/c1-10(2)18(11(3)4)15(20)9-23-19-14-8-12(24(5,21)22)6-7-13(14)16-17-19/h6-8,10-11H,9H2,1-5H3
InChIKeyWKGUWJKBBQVJRT-UHFFFAOYSA-N
XLogP0.91
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532
N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701498
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7701541
N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7919325
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
2-[6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-propan-2-ylacetamide
CID 7714314
1-[2-(2-methylphenoxy)ethoxy]-6-methylsulfonylbenzotriazole
CID 17404182
N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
methyl 5-[2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 31471997
N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714319
N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 3403053

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide (CID 7701578) is 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)COn1nnc2ccc(S(C)(=O)=O)cc21)C(C)C.
What is the InChIKey of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide?
The InChIKey is WKGUWJKBBQVJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-10(2)18(11(3)4)15(20)9-23-19-14-8-12(24(5,21)22)6-7-13(14)16-17-19/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide?
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide has a molecular weight of 354.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7701578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).