3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide

C26H33N5O2S — CID 169266710

IUPAC3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2cnc(-c3ccc(N)cc3N3CCC4(CC3)CC4)[nH]2)c1
InChIInChI=1S/C26H33N5O2S/c1-25(2,3)30-34(32,33)20-6-4-5-18(15-20)22-17-28-24(29-22)21-8-7-19(27)16-23(21)31-13-11-26(9-10-26)12-14-31/h4-8,15-17,30H,9-14,27H2,1-3H3,(H,28,29)
InChIKeyJFYUUUJVKNHPSR-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.78
Rot. Bonds5

About 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide

3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide (PubChem CID 169266710) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide
PubChem CID169266710
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC Name3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2cnc(-c3ccc(N)cc3N3CCC4(CC3)CC4)[nH]2)c1
InChIInChI=1S/C26H33N5O2S/c1-25(2,3)30-34(32,33)20-6-4-5-18(15-20)22-17-28-24(29-22)21-8-7-19(27)16-23(21)31-13-11-26(9-10-26)12-14-31/h4-8,15-17,30H,9-14,27H2,1-3H3,(H,28,29)
InChIKeyJFYUUUJVKNHPSR-UHFFFAOYSA-N
XLogP4.78
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide?
The IUPAC name of 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide (CID 169266710) is 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(-c2cnc(-c3ccc(N)cc3N3CCC4(CC3)CC4)[nH]2)c1.
What is the InChIKey of 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide?
The InChIKey is JFYUUUJVKNHPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2S/c1-25(2,3)30-34(32,33)20-6-4-5-18(15-20)22-17-28-24(29-22)21-8-7-19(27)16-23(21)31-13-11-26(9-10-26)12-14-31/h4-8,15-17,30H,9-14,27H2,1-3H3,(H,28,29).
What are the key properties of 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide?
3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide has a molecular weight of 479.65 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-amino-2-(6-azaspiro[2.5]octan-6-yl)phenyl]-1H-imidazol-5-yl]-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 169266710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).