2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide

C24H32N4O4S — CID 110077792

IUPAC2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
SMILESCC1(C)CC2(CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C24H32N4O4S/c1-23(2)17-24(18-28(23)33(3,30)31)10-13-27(14-11-24)16-22(29)26-19-6-8-20(9-7-19)32-21-5-4-12-25-15-21/h4-9,12,15H,10-11,13-14,16-18H2,1-3H3,(H,26,29)
InChIKeyIUZCTHKHCNXWOC-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.34
Rot. Bonds6

About 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide

2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide (PubChem CID 110077792) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
PubChem CID110077792
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
SMILESCC1(C)CC2(CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C24H32N4O4S/c1-23(2)17-24(18-28(23)33(3,30)31)10-13-27(14-11-24)16-22(29)26-19-6-8-20(9-7-19)32-21-5-4-12-25-15-21/h4-9,12,15H,10-11,13-14,16-18H2,1-3H3,(H,26,29)
InChIKeyIUZCTHKHCNXWOC-UHFFFAOYSA-N
XLogP3.34
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 110162542
2-[2-(3-fluorophenyl)sulfonyl-3,3-dimethyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-(4-phenoxyphenyl)acetamide
CID 110077790
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
CID 90951013
(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026870
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,3-dimethyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
CID 110162470
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 72904612
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
N-[4-(4-methylphenoxy)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71903027

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide (CID 110077792) is 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide is CC1(C)CC2(CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)CN1S(C)(=O)=O.
What is the InChIKey of 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide?
The InChIKey is IUZCTHKHCNXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-23(2)17-24(18-28(23)33(3,30)31)10-13-27(14-11-24)16-22(29)26-19-6-8-20(9-7-19)32-21-5-4-12-25-15-21/h4-9,12,15H,10-11,13-14,16-18H2,1-3H3,(H,26,29).
What are the key properties of 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide?
2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide has a molecular weight of 472.61 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide is sourced from PubChem (CID 110077792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).