7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione

C23H22N2O5S — CID 10526991

IUPAC7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
SMILESCOc1cccc(C2CC(=O)CC(c3cccc(OC)c3)C23C(=O)NC(=S)NC3=O)c1
InChIInChI=1S/C23H22N2O5S/c1-29-16-7-3-5-13(9-16)18-11-15(26)12-19(14-6-4-8-17(10-14)30-2)23(18)20(27)24-22(31)25-21(23)28/h3-10,18-19H,11-12H2,1-2H3,(H2,24,25,27,28,31)
InChIKeySVIKSWBOWXRNNG-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.45
Rot. Bonds4

About 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione

7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione (PubChem CID 10526991) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione.

Molecular Properties

Compound Name7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
PubChem CID10526991
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
SMILESCOc1cccc(C2CC(=O)CC(c3cccc(OC)c3)C23C(=O)NC(=S)NC3=O)c1
InChIInChI=1S/C23H22N2O5S/c1-29-16-7-3-5-13(9-16)18-11-15(26)12-19(14-6-4-8-17(10-14)30-2)23(18)20(27)24-22(31)25-21(23)28/h3-10,18-19H,11-12H2,1-2H3,(H2,24,25,27,28,31)
InChIKeySVIKSWBOWXRNNG-UHFFFAOYSA-N
XLogP2.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 11742959
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CID 125450834
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055
2-(3-methoxyphenyl)-6-methyl-2'-sulfanylidenespiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one
CID 90837717
(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
CID 98232209
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
(4R,7S)-4-(3-methoxyphenyl)-7-phenyl-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
CID 53243323
6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 172765225
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957
4-(3-methoxyphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile
CID 3451959
(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067

Frequently Asked Questions

What is the IUPAC name of 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione?
The IUPAC name of 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione (CID 10526991) is 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione.
What is the SMILES notation for 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione?
The canonical SMILES for 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione is COc1cccc(C2CC(=O)CC(c3cccc(OC)c3)C23C(=O)NC(=S)NC3=O)c1.
What is the InChIKey of 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione?
The InChIKey is SVIKSWBOWXRNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-29-16-7-3-5-13(9-16)18-11-15(26)12-19(14-6-4-8-17(10-14)30-2)23(18)20(27)24-22(31)25-21(23)28/h3-10,18-19H,11-12H2,1-2H3,(H2,24,25,27,28,31).
What are the key properties of 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione?
7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione has a molecular weight of 438.51 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione is sourced from PubChem (CID 10526991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).