2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide

C22H27N5O5S — CID 42969787

IUPAC2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C22H27N5O5S/c1-17(7-8-18-5-3-2-4-6-18)23-22(28)16-32-27-21-15-19(9-10-20(21)24-25-27)33(29,30)26-11-13-31-14-12-26/h2-6,9-10,15,17H,7-8,11-14,16H2,1H3,(H,23,28)
InChIKeyXMJRPIJJRVYJMH-UHFFFAOYSA-N
MW473.56 g/mol
LogP1.02
Rot. Bonds9

About 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide

2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 42969787) has the molecular formula C22H27N5O5S and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
PubChem CID42969787
Molecular FormulaC22H27N5O5S
Molecular Weight473.56 g/mol
Exact Mass473.17
IUPAC Name2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C22H27N5O5S/c1-17(7-8-18-5-3-2-4-6-18)23-22(28)16-32-27-21-15-19(9-10-20(21)24-25-27)33(29,30)26-11-13-31-14-12-26/h2-6,9-10,15,17H,7-8,11-14,16H2,1H3,(H,23,28)
InChIKeyXMJRPIJJRVYJMH-UHFFFAOYSA-N
XLogP1.02
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 24581802
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
N-[(2R)-butan-2-yl]-2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714319
N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
CID 24581799
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
N-[(2-chlorophenyl)methyl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide
CID 24512070
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 20861537
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone
CID 24581806
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide
CID 42977235
2-[[4-cyclopentyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 98407372

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide (CID 42969787) is 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is XMJRPIJJRVYJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5S/c1-17(7-8-18-5-3-2-4-6-18)23-22(28)16-32-27-21-15-19(9-10-20(21)24-25-27)33(29,30)26-11-13-31-14-12-26/h2-6,9-10,15,17H,7-8,11-14,16H2,1H3,(H,23,28).
What are the key properties of 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide?
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 473.56 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 42969787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).