9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one

C27H28N2O4S — CID 69435907

IUPAC9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCCC3(CCN(c4ccc(Oc5ccccc5)cc4)C3=O)C2)cc1
InChIInChI=1S/C27H28N2O4S/c1-21-8-14-25(15-9-21)34(31,32)28-18-5-16-27(20-28)17-19-29(26(27)30)22-10-12-24(13-11-22)33-23-6-3-2-4-7-23/h2-4,6-15H,5,16-20H2,1H3
InChIKeyDGWBOXFCYGDERJ-UHFFFAOYSA-N
MW476.60 g/mol
LogP5.00
Rot. Bonds5

About 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one

9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 69435907) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID69435907
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC Name9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCCC3(CCN(c4ccc(Oc5ccccc5)cc4)C3=O)C2)cc1
InChIInChI=1S/C27H28N2O4S/c1-21-8-14-25(15-9-21)34(31,32)28-18-5-16-27(20-28)17-19-29(26(27)30)22-10-12-24(13-11-22)33-23-6-3-2-4-7-23/h2-4,6-15H,5,16-20H2,1H3
InChIKeyDGWBOXFCYGDERJ-UHFFFAOYSA-N
XLogP5.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-phenoxyphenyl)methyl]-9-pyridin-3-ylsulfonyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135240
4-[[1-oxo-2-[(4-phenoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]sulfonyl]benzonitrile
CID 23135248
9-(1-methylimidazol-4-yl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135203
9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135255
9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135289
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
9-benzylsulfonyl-2-[(4-phenoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 69438102
(5S)-4-methylidene-7-(4-methylphenyl)sulfonyl-7-azaspiro[4.6]undecane
CID 102431755
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-phenoxyphenyl)methanone
CID 17491479
2-(4-chlorophenyl)-9-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 23135189
2-[(4-phenoxyphenyl)methyl]-9-(2-phenylethenylsulfonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 69437337
(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490514

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one (CID 69435907) is 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one is Cc1ccc(S(=O)(=O)N2CCCC3(CCN(c4ccc(Oc5ccccc5)cc4)C3=O)C2)cc1.
What is the InChIKey of 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is DGWBOXFCYGDERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-21-8-14-25(15-9-21)34(31,32)28-18-5-16-27(20-28)17-19-29(26(27)30)22-10-12-24(13-11-22)33-23-6-3-2-4-7-23/h2-4,6-15H,5,16-20H2,1H3.
What are the key properties of 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 476.60 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)sulfonyl-2-(4-phenoxyphenyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 69435907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).