1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one

C26H33NO4S — CID 123513875

IUPAC1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CCC(CC(=O)Cc4ccc(C)cc4)C3)CC2)cc1
InChIInChI=1S/C26H33NO4S/c1-20-3-5-21(6-4-20)17-23(28)18-22-11-12-26(19-22)13-15-27(16-14-26)32(29,30)25-9-7-24(31-2)8-10-25/h3-10,22H,11-19H2,1-2H3
InChIKeyIGULOWPZWLVZSG-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.78
Rot. Bonds7

About 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one

1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one (PubChem CID 123513875) has the molecular formula C26H33NO4S and a molecular weight of 455.62 g/mol. Its IUPAC name is 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one
PubChem CID123513875
Molecular FormulaC26H33NO4S
Molecular Weight455.62 g/mol
Exact Mass455.21
IUPAC Name1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CCC(CC(=O)Cc4ccc(C)cc4)C3)CC2)cc1
InChIInChI=1S/C26H33NO4S/c1-20-3-5-21(6-4-20)17-23(28)18-22-11-12-26(19-22)13-15-27(16-14-26)32(29,30)25-9-7-24(31-2)8-10-25/h3-10,22H,11-19H2,1-2H3
InChIKeyIGULOWPZWLVZSG-UHFFFAOYSA-N
XLogP4.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one with MolForge

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Related Compounds

4-[8-[(4-methoxyphenyl)methylsulfonyl]-8-azaspiro[4.5]decan-3-yl]-1-phenylbutan-2-one
CID 123758324
2-[(4-methoxyphenyl)methylamino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 1429409
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165
2-(4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 22584149
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 7899574
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one (CID 123513875) is 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one is COc1ccc(S(=O)(=O)N2CCC3(CCC(CC(=O)Cc4ccc(C)cc4)C3)CC2)cc1.
What is the InChIKey of 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one?
The InChIKey is IGULOWPZWLVZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4S/c1-20-3-5-21(6-4-20)17-23(28)18-22-11-12-26(19-22)13-15-27(16-14-26)32(29,30)25-9-7-24(31-2)8-10-25/h3-10,22H,11-19H2,1-2H3.
What are the key properties of 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one?
1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one has a molecular weight of 455.62 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-methoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 123513875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).