N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide

C20H27N5O4S — CID 3403053

IUPACN-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2c1
InChIInChI=1S/C20H27N5O4S/c1-24(2)30(27,28)16-3-4-17-18(8-16)25(23-22-17)29-12-19(26)21-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,21,26)
InChIKeyRSVSXZLYHOHWHX-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.20
Rot. Bonds6

About N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide

N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide (PubChem CID 3403053) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
PubChem CID3403053
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC NameN-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2c1
InChIInChI=1S/C20H27N5O4S/c1-24(2)30(27,28)16-3-4-17-18(8-16)25(23-22-17)29-12-19(26)21-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,21,26)
InChIKeyRSVSXZLYHOHWHX-UHFFFAOYSA-N
XLogP1.20
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16545352
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 24607409
N-(1-adamantyl)-2-[[7-(dimethylsulfamoyl)-[1,2,4]triazolo[3,4-b][1,3]benzoxazol-1-yl]sulfanyl]acetamide
CID 5026007
N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
CID 7696323
3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 4805334
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N,N-di(propan-2-yl)acetamide
CID 7701578
3-[(4-tert-butylphenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 7696557
3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 24607406
3-[2-(4-methoxyphenoxy)ethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 7696551
N,N-dimethyl-3-(3-phenoxypropoxy)benzotriazole-5-sulfonamide
CID 17404202
N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide
CID 7919254

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide?
The IUPAC name of N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide (CID 3403053) is N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide?
The canonical SMILES for N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide is CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2c1.
What is the InChIKey of N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide?
The InChIKey is RSVSXZLYHOHWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-24(2)30(27,28)16-3-4-17-18(8-16)25(23-22-17)29-12-19(26)21-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,21,26).
What are the key properties of N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide?
N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide has a molecular weight of 433.53 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 3403053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).