8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H25N3O5S — CID 42109566

IUPAC8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1
InChIInChI=1S/C22H25N3O5S/c1-30-18-7-9-19(10-8-18)31(28,29)24-15-12-22(13-16-24)20(26)25(21(27)23-22)14-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,27)
InChIKeyJMDFWZIBSCDYEY-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.01
Rot. Bonds6

About 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 42109566) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID42109566
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1
InChIInChI=1S/C22H25N3O5S/c1-30-18-7-9-19(10-8-18)31(28,29)24-15-12-22(13-16-24)20(26)25(21(27)23-22)14-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,27)
InChIKeyJMDFWZIBSCDYEY-UHFFFAOYSA-N
XLogP2.01
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
3-[(4-methoxyphenyl)methyl]-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91218791
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811
1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455
8-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16826034
7-[2-(4-methoxyphenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946237

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 42109566) is 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JMDFWZIBSCDYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-30-18-7-9-19(10-8-18)31(28,29)24-15-12-22(13-16-24)20(26)25(21(27)23-22)14-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,27).
What are the key properties of 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 443.53 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 42109566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).