2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide

C29H37N5O6S — CID 176791788

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide
SMILESC[C@@H]1CN(c2nc(NC(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3N3CCC4(CC3)CC4)cc3ccoc23)CCO1
InChIInChI=1S/C29H37N5O6S/c1-19(18-35)32-41(37,38)22-3-4-23(24(16-22)33-10-8-29(6-7-29)9-11-33)28(36)31-25-15-21-5-13-40-26(21)27(30-25)34-12-14-39-20(2)17-34/h3-5,13,15-16,19-20,32,35H,6-12,14,17-18H2,1-2H3,(H,30,31,36)/t19-,20+/m0/s1
InChIKeyBSDJMMCXQMEPAX-VQTJNVASSA-N
MW583.71 g/mol
LogP3.34
Rot. Bonds8

About 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide (PubChem CID 176791788) has the molecular formula C29H37N5O6S and a molecular weight of 583.71 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide
PubChem CID176791788
Molecular FormulaC29H37N5O6S
Molecular Weight583.71 g/mol
Exact Mass583.25
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide
SMILESC[C@@H]1CN(c2nc(NC(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3N3CCC4(CC3)CC4)cc3ccoc23)CCO1
InChIInChI=1S/C29H37N5O6S/c1-19(18-35)32-41(37,38)22-3-4-23(24(16-22)33-10-8-29(6-7-29)9-11-33)28(36)31-25-15-21-5-13-40-26(21)27(30-25)34-12-14-39-20(2)17-34/h3-5,13,15-16,19-20,32,35H,6-12,14,17-18H2,1-2H3,(H,30,31,36)/t19-,20+/m0/s1
InChIKeyBSDJMMCXQMEPAX-VQTJNVASSA-N
XLogP3.34
TPSA137.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.71
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide (CID 176791788) is 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide is C[C@@H]1CN(c2nc(NC(=O)c3ccc(S(=O)(=O)N[C@@H](C)CO)cc3N3CCC4(CC3)CC4)cc3ccoc23)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide?
The InChIKey is BSDJMMCXQMEPAX-VQTJNVASSA-N. The full InChI is InChI=1S/C29H37N5O6S/c1-19(18-35)32-41(37,38)22-3-4-23(24(16-22)33-10-8-29(6-7-29)9-11-33)28(36)31-25-15-21-5-13-40-26(21)27(30-25)34-12-14-39-20(2)17-34/h3-5,13,15-16,19-20,32,35H,6-12,14,17-18H2,1-2H3,(H,30,31,36)/t19-,20+/m0/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide has a molecular weight of 583.71 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-N-[7-[(2R)-2-methylmorpholin-4-yl]furo[2,3-c]pyridin-5-yl]benzamide is sourced from PubChem (CID 176791788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).