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

C21H25N5O5S — CID 24581801

IUPAC2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1
InChIInChI=1S/C21H25N5O5S/c1-2-3-16-4-6-17(7-5-16)22-21(27)15-31-26-20-14-18(8-9-19(20)23-24-26)32(28,29)25-10-12-30-13-11-25/h4-9,14H,2-3,10-13,15H2,1H3,(H,22,27)
InChIKeyZAVUFXJJANZNKK-UHFFFAOYSA-N
MW459.53 g/mol
LogP1.47
Rot. Bonds8

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

2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide (PubChem CID 24581801) has the molecular formula C21H25N5O5S and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
PubChem CID24581801
Molecular FormulaC21H25N5O5S
Molecular Weight459.53 g/mol
Exact Mass459.16
IUPAC Name2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1
InChIInChI=1S/C21H25N5O5S/c1-2-3-16-4-6-17(7-5-16)22-21(27)15-31-26-20-14-18(8-9-19(20)23-24-26)32(28,29)25-10-12-30-13-11-25/h4-9,14H,2-3,10-13,15H2,1H3,(H,22,27)
InChIKeyZAVUFXJJANZNKK-UHFFFAOYSA-N
XLogP1.47
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
CID 24581799
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 42969787
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 24581802
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine
CID 55626704
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 24607409
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide (CID 24581801) is 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1.
What is the InChIKey of 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide?
The InChIKey is ZAVUFXJJANZNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S/c1-2-3-16-4-6-17(7-5-16)22-21(27)15-31-26-20-14-18(8-9-19(20)23-24-26)32(28,29)25-10-12-30-13-11-25/h4-9,14H,2-3,10-13,15H2,1H3,(H,22,27).
What are the key properties of 2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide?
2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide has a molecular weight of 459.53 g/mol, XLogP of 1.47, 8 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-propylphenyl)acetamide is sourced from PubChem (CID 24581801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).