2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide

C26H34N4O5S — CID 154957824

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide
SMILESCC1(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(C)(C)O)n3)c(N3CCC4(CC3)CC4)c2)COC1
InChIInChI=1S/C26H34N4O5S/c1-24(2,32)21-5-4-6-22(27-21)28-23(31)19-8-7-18(36(33,34)29-25(3)16-35-17-25)15-20(19)30-13-11-26(9-10-26)12-14-30/h4-8,15,29,32H,9-14,16-17H2,1-3H3,(H,27,28,31)
InChIKeyMXEJJAIZMKVMSG-UHFFFAOYSA-N
MW514.65 g/mol
LogP3.01
Rot. Bonds7

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide (PubChem CID 154957824) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide
PubChem CID154957824
Molecular FormulaC26H34N4O5S
Molecular Weight514.65 g/mol
Exact Mass514.22
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide
SMILESCC1(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(C)(C)O)n3)c(N3CCC4(CC3)CC4)c2)COC1
InChIInChI=1S/C26H34N4O5S/c1-24(2,32)21-5-4-6-22(27-21)28-23(31)19-8-7-18(36(33,34)29-25(3)16-35-17-25)15-20(19)30-13-11-26(9-10-26)12-14-30/h4-8,15,29,32H,9-14,16-17H2,1-3H3,(H,27,28,31)
InChIKeyMXEJJAIZMKVMSG-UHFFFAOYSA-N
XLogP3.01
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide (CID 154957824) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide is CC1(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(C)(C)O)n3)c(N3CCC4(CC3)CC4)c2)COC1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide?
The InChIKey is MXEJJAIZMKVMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c1-24(2,32)21-5-4-6-22(27-21)28-23(31)19-8-7-18(36(33,34)29-25(3)16-35-17-25)15-20(19)30-13-11-26(9-10-26)12-14-30/h4-8,15,29,32H,9-14,16-17H2,1-3H3,(H,27,28,31).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide has a molecular weight of 514.65 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[(3-methyloxetan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 154957824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).