N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide

C19H29N5O4S — CID 7714319

IUPACN-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
SMILESCC[C@@H](C)NC(=O)COn1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc21
InChIInChI=1S/C19H29N5O4S/c1-5-15(4)20-19(25)12-28-24-18-9-16(6-7-17(18)21-22-24)29(26,27)23-10-13(2)8-14(3)11-23/h6-7,9,13-15H,5,8,10-12H2,1-4H3,(H,20,25)/t13-,14-,15+/m0/s1
InChIKeyFAZHAQDJASVWOA-SOUVJXGZSA-N
MW423.54 g/mol
LogP1.44
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide

N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide (PubChem CID 7714319) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
PubChem CID7714319
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC NameN-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
SMILESCC[C@@H](C)NC(=O)COn1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc21
InChIInChI=1S/C19H29N5O4S/c1-5-15(4)20-19(25)12-28-24-18-9-16(6-7-17(18)21-22-24)29(26,27)23-10-13(2)8-14(3)11-23/h6-7,9,13-15H,5,8,10-12H2,1-4H3,(H,20,25)/t13-,14-,15+/m0/s1
InChIKeyFAZHAQDJASVWOA-SOUVJXGZSA-N
XLogP1.44
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-N-propan-2-ylacetamide
CID 7714314
N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714347
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 42969787
N,N-diethyl-2-[6-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714359
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706166
1-[(4-bromophenyl)methoxy]-6-(3,5-dimethylpiperidin-1-yl)sulfonylbenzotriazole
CID 112788487
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-[(2-methylphenyl)methoxy]benzotriazole
CID 7714335
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 24581802
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 6600854
1-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpiperidin-1-yl)sulfonylbenzotriazole
CID 112788491
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide (CID 7714319) is N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide is CC[C@@H](C)NC(=O)COn1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc21.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide?
The InChIKey is FAZHAQDJASVWOA-SOUVJXGZSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-5-15(4)20-19(25)12-28-24-18-9-16(6-7-17(18)21-22-24)29(26,27)23-10-13(2)8-14(3)11-23/h6-7,9,13-15H,5,8,10-12H2,1-4H3,(H,20,25)/t13-,14-,15+/m0/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide?
N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide has a molecular weight of 423.54 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 7714319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).