2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide

C23H34N4O5S — CID 170791710

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)C1=O
InChIInChI=1S/C23H34N4O5S/c1-16(2)27-10-5-19(22(27)30)24-21(29)18-4-3-17(25-33(31,32)14-13-28)15-20(18)26-11-8-23(6-7-23)9-12-26/h3-4,15-16,19,25,28H,5-14H2,1-2H3,(H,24,29)
InChIKeyKIZQDDDLRJGCMD-UHFFFAOYSA-N
MW478.62 g/mol
LogP1.54
Rot. Bonds8

About 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 170791710) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
PubChem CID170791710
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)C1=O
InChIInChI=1S/C23H34N4O5S/c1-16(2)27-10-5-19(22(27)30)24-21(29)18-4-3-17(25-33(31,32)14-13-28)15-20(18)26-11-8-23(6-7-23)9-12-26/h3-4,15-16,19,25,28H,5-14H2,1-2H3,(H,24,29)
InChIKeyKIZQDDDLRJGCMD-UHFFFAOYSA-N
XLogP1.54
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide (CID 170791710) is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide is CC(C)N1CCC(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)C1=O.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is KIZQDDDLRJGCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-16(2)27-10-5-19(22(27)30)24-21(29)18-4-3-17(25-33(31,32)14-13-28)15-20(18)26-11-8-23(6-7-23)9-12-26/h3-4,15-16,19,25,28H,5-14H2,1-2H3,(H,24,29).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 478.62 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 170791710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).