(2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone

C22H26N2O6S — CID 16803302

IUPAC(2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2OC)CC3)cc1
InChIInChI=1S/C22H26N2O6S/c1-28-17-7-9-18(10-8-17)31(26,27)24-15-16-30-22(24)11-13-23(14-12-22)21(25)19-5-3-4-6-20(19)29-2/h3-10H,11-16H2,1-2H3
InChIKeyZQTRRWOGDIYYKY-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.36
Rot. Bonds5

About (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone

(2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 16803302) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID16803302
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name(2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2OC)CC3)cc1
InChIInChI=1S/C22H26N2O6S/c1-28-17-7-9-18(10-8-17)31(26,27)24-15-16-30-22(24)11-13-23(14-12-22)21(25)19-5-3-4-6-20(19)29-2/h3-10H,11-16H2,1-2H3
InChIKeyZQTRRWOGDIYYKY-UHFFFAOYSA-N
XLogP2.36
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-1-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 7295622
[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2-methylphenyl)methanone
CID 7295643
(3,4-difluorophenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 22581621
tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 52918623
2-(4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 22584149
[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(3-nitrophenyl)methanone
CID 44827512
4-(4-methoxyphenyl)sulfonyl-8-sulfanyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 122605910
[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(3,4-dimethoxyphenyl)methanone
CID 20962491
4-(4-methoxyphenyl)sulfonyl-8-methylidene-1-oxa-4-aza-8-azoniaspiro[4.5]decane
CID 91177963
8-(2,5-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830263
8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 46195040
tert-butyl 4-(4-methoxyphenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane-8-carboxylate
CID 90139073

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (CID 16803302) is (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone is COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2OC)CC3)cc1.
What is the InChIKey of (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is ZQTRRWOGDIYYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-28-17-7-9-18(10-8-17)31(26,27)24-15-16-30-22(24)11-13-23(14-12-22)21(25)19-5-3-4-6-20(19)29-2/h3-10H,11-16H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone?
(2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 446.53 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 16803302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).