N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide

C20H22N6O6S — CID 24581799

IUPACN-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1
InChIInChI=1S/C20H22N6O6S/c1-21-20(28)14-3-2-4-15(11-14)22-19(27)13-32-26-18-12-16(5-6-17(18)23-24-26)33(29,30)25-7-9-31-10-8-25/h2-6,11-12H,7-10,13H2,1H3,(H,21,28)(H,22,27)
InChIKeyHHIGHBFTZIHNDM-UHFFFAOYSA-N
MW474.50 g/mol
LogP-0.12
Rot. Bonds7

About N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide

N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide (PubChem CID 24581799) has the molecular formula C20H22N6O6S and a molecular weight of 474.50 g/mol. Its IUPAC name is N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
PubChem CID24581799
Molecular FormulaC20H22N6O6S
Molecular Weight474.50 g/mol
Exact Mass474.13
IUPAC NameN-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1
InChIInChI=1S/C20H22N6O6S/c1-21-20(28)14-3-2-4-15(11-14)22-19(27)13-32-26-18-12-16(5-6-17(18)23-24-26)33(29,30)25-7-9-31-10-8-25/h2-6,11-12H,7-10,13H2,1H3,(H,21,28)(H,22,27)
InChIKeyHHIGHBFTZIHNDM-UHFFFAOYSA-N
XLogP-0.12
TPSA144.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide with MolForge

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Related Compounds

2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-N-(4-propylphenyl)acetamide
CID 24581801
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-phenylbutan-2-yl)acetamide
CID 42969787
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone
CID 24581806
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854118
[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 8705268
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313533
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 55314726
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide (CID 24581799) is N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1.
What is the InChIKey of N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide?
The InChIKey is HHIGHBFTZIHNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O6S/c1-21-20(28)14-3-2-4-15(11-14)22-19(27)13-32-26-18-12-16(5-6-17(18)23-24-26)33(29,30)25-7-9-31-10-8-25/h2-6,11-12H,7-10,13H2,1H3,(H,21,28)(H,22,27).
What are the key properties of N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide?
N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide has a molecular weight of 474.50 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 24581799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).