2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide

C28H37N5O6S — CID 177373041

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide
SMILESC[C@H]1CN(c2nc(NC(=O)c3ccc(S(=O)(=O)NCCO)cc3N3CCC4(CC3)CC4)cc3c2OCC3)CCO1
InChIInChI=1S/C28H37N5O6S/c1-19-18-33(12-15-38-19)26-25-20(4-14-39-25)16-24(30-26)31-27(35)22-3-2-21(40(36,37)29-9-13-34)17-23(22)32-10-7-28(5-6-28)8-11-32/h2-3,16-17,19,29,34H,4-15,18H2,1H3,(H,30,31,35)/t19-/m0/s1
InChIKeySWOKKHMBUFTMHB-IBGZPJMESA-N
MW571.70 g/mol
LogP2.14
Rot. Bonds8

About 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide (PubChem CID 177373041) has the molecular formula C28H37N5O6S and a molecular weight of 571.70 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide
PubChem CID177373041
Molecular FormulaC28H37N5O6S
Molecular Weight571.70 g/mol
Exact Mass571.25
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide
SMILESC[C@H]1CN(c2nc(NC(=O)c3ccc(S(=O)(=O)NCCO)cc3N3CCC4(CC3)CC4)cc3c2OCC3)CCO1
InChIInChI=1S/C28H37N5O6S/c1-19-18-33(12-15-38-19)26-25-20(4-14-39-25)16-24(30-26)31-27(35)22-3-2-21(40(36,37)29-9-13-34)17-23(22)32-10-7-28(5-6-28)8-11-32/h2-3,16-17,19,29,34H,4-15,18H2,1H3,(H,30,31,35)/t19-/m0/s1
InChIKeySWOKKHMBUFTMHB-IBGZPJMESA-N
XLogP2.14
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.70
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide (CID 177373041) is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide is C[C@H]1CN(c2nc(NC(=O)c3ccc(S(=O)(=O)NCCO)cc3N3CCC4(CC3)CC4)cc3c2OCC3)CCO1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide?
The InChIKey is SWOKKHMBUFTMHB-IBGZPJMESA-N. The full InChI is InChI=1S/C28H37N5O6S/c1-19-18-33(12-15-38-19)26-25-20(4-14-39-25)16-24(30-26)31-27(35)22-3-2-21(40(36,37)29-9-13-34)17-23(22)32-10-7-28(5-6-28)8-11-32/h2-3,16-17,19,29,34H,4-15,18H2,1H3,(H,30,31,35)/t19-/m0/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide has a molecular weight of 571.70 g/mol, XLogP of 2.14, 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-(2-hydroxyethylsulfamoyl)-N-[7-[(2S)-2-methylmorpholin-4-yl]-2,3-dihydrofuro[2,3-c]pyridin-5-yl]benzamide is sourced from PubChem (CID 177373041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).