2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide

C25H31F3N4O5S — CID 151837327

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide
SMILESC[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C25H31F3N4O5S/c1-17(16-33)38(35,36)31-18-5-6-19(20(15-18)32-12-9-24(7-8-24)10-13-32)23(34)30-21-3-2-4-22(29-21)37-14-11-25(26,27)28/h2-6,15,17,31,33H,7-14,16H2,1H3,(H,29,30,34)/t17-/m1/s1
InChIKeySFXWMPFCFUDTPD-QGZVFWFLSA-N
MW556.61 g/mol
LogP4.17
Rot. Bonds10

About 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide (PubChem CID 151837327) has the molecular formula C25H31F3N4O5S and a molecular weight of 556.61 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide
PubChem CID151837327
Molecular FormulaC25H31F3N4O5S
Molecular Weight556.61 g/mol
Exact Mass556.20
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide
SMILESC[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C25H31F3N4O5S/c1-17(16-33)38(35,36)31-18-5-6-19(20(15-18)32-12-9-24(7-8-24)10-13-32)23(34)30-21-3-2-4-22(29-21)37-14-11-25(26,27)28/h2-6,15,17,31,33H,7-14,16H2,1H3,(H,29,30,34)/t17-/m1/s1
InChIKeySFXWMPFCFUDTPD-QGZVFWFLSA-N
XLogP4.17
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.61
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide (CID 151837327) is 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide is C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide?
The InChIKey is SFXWMPFCFUDTPD-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H31F3N4O5S/c1-17(16-33)38(35,36)31-18-5-6-19(20(15-18)32-12-9-24(7-8-24)10-13-32)23(34)30-21-3-2-4-22(29-21)37-14-11-25(26,27)28/h2-6,15,17,31,33H,7-14,16H2,1H3,(H,29,30,34)/t17-/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide has a molecular weight of 556.61 g/mol, XLogP of 4.17, 10 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)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]-N-[6-(3,3,3-trifluoropropoxy)-2-pyridinyl]benzamide is sourced from PubChem (CID 151837327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).