2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

C24H30N2O5S — CID 118386224

IUPAC2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCOc1ccc(C(C)C(=O)N2CC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)C2)cc1
InChIInChI=1S/C24H30N2O5S/c1-18(19-4-6-20(30-2)7-5-19)23(27)25-16-24(17-25)12-14-26(15-13-24)32(28,29)22-10-8-21(31-3)9-11-22/h4-11,18H,12-17H2,1-3H3
InChIKeyOKEXLHLXTKKBHV-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one

2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one (PubChem CID 118386224) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
PubChem CID118386224
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
SMILESCOc1ccc(C(C)C(=O)N2CC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)C2)cc1
InChIInChI=1S/C24H30N2O5S/c1-18(19-4-6-20(30-2)7-5-19)23(27)25-16-24(17-25)12-14-26(15-13-24)32(28,29)22-10-8-21(31-3)9-11-22/h4-11,18H,12-17H2,1-3H3
InChIKeyOKEXLHLXTKKBHV-UHFFFAOYSA-N
XLogP3.12
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
3-(3-fluorophenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 129186399
1-[8-(4-methoxyphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-2-methylpropan-1-one
CID 3981006
2-(4-methoxyphenyl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 24686573
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one
CID 9496484
(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265567
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
(2S)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119678714
(3R)-3-(methoxymethyl)-1-[(2R)-2-(4-methoxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 129469529

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one (CID 118386224) is 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one is COc1ccc(C(C)C(=O)N2CC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
The InChIKey is OKEXLHLXTKKBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-18(19-4-6-20(30-2)7-5-19)23(27)25-16-24(17-25)12-14-26(15-13-24)32(28,29)22-10-8-21(31-3)9-11-22/h4-11,18H,12-17H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one?
2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one has a molecular weight of 458.58 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one is sourced from PubChem (CID 118386224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).