2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one

C26H27N3O4S — CID 23135240

IUPAC2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc(Oc3ccccc3)cc2)CCC12CCCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C26H27N3O4S/c30-25-26(13-5-16-29(20-26)34(31,32)24-8-4-15-27-18-24)14-17-28(25)19-21-9-11-23(12-10-21)33-22-6-2-1-3-7-22/h1-4,6-12,15,18H,5,13-14,16-17,19-20H2
InChIKeyRHINUNWGCKKDGV-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.08
Rot. Bonds6

About 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one

2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 23135240) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID23135240
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc(Oc3ccccc3)cc2)CCC12CCCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C26H27N3O4S/c30-25-26(13-5-16-29(20-26)34(31,32)24-8-4-15-27-18-24)14-17-28(25)19-21-9-11-23(12-10-21)33-22-6-2-1-3-7-22/h1-4,6-12,15,18H,5,13-14,16-17,19-20H2
InChIKeyRHINUNWGCKKDGV-UHFFFAOYSA-N
XLogP4.08
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-oxo-2-[(4-phenoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]sulfonyl]benzonitrile
CID 23135248
9-benzylsulfonyl-2-[(4-phenoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 69438102
2-[(4-phenoxyphenyl)methyl]-9-(2-phenylethenylsulfonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 69437337
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286966
9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one
CID 69435907
(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97138313
7-cyclohexyl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72939411
(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490225
9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131652791
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897491

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one (CID 23135240) is 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccc(Oc3ccccc3)cc2)CCC12CCCN(S(=O)(=O)c1cccnc1)C2.
What is the InChIKey of 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RHINUNWGCKKDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c30-25-26(13-5-16-29(20-26)34(31,32)24-8-4-15-27-18-24)14-17-28(25)19-21-9-11-23(12-10-21)33-22-6-2-1-3-7-22/h1-4,6-12,15,18H,5,13-14,16-17,19-20H2.
What are the key properties of 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one?
2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 477.59 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 23135240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).