2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide

C18H20N4O4S — CID 7701541

IUPAC2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)c(C)c1
InChIInChI=1S/C18H20N4O4S/c1-11-7-12(2)18(13(3)8-11)19-17(23)10-26-22-16-9-14(27(4,24)25)5-6-15(16)20-21-22/h5-9H,10H2,1-4H3,(H,19,23)
InChIKeyDUPRORXZPMBSRA-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.83
Rot. Bonds5

About 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide

2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7701541) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7701541
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)c(C)c1
InChIInChI=1S/C18H20N4O4S/c1-11-7-12(2)18(13(3)8-11)19-17(23)10-26-22-16-9-14(27(4,24)25)5-6-15(16)20-21-22/h5-9H,10H2,1-4H3,(H,19,23)
InChIKeyDUPRORXZPMBSRA-UHFFFAOYSA-N
XLogP1.83
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
N-(3,4-difluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701498
N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide
CID 7701578
N-[(4-chlorophenyl)methyl]-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7919325
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
CID 55733108
2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide
CID 7668396
N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
CID 24581799
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide (CID 7701541) is 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)c(C)c1.
What is the InChIKey of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DUPRORXZPMBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-11-7-12(2)18(13(3)8-11)19-17(23)10-26-22-16-9-14(27(4,24)25)5-6-15(16)20-21-22/h5-9H,10H2,1-4H3,(H,19,23).
What are the key properties of 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 388.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7701541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).