2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C23H33N3O7S — CID 24524058

IUPAC2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)C2=O
InChIInChI=1S/C23H33N3O7S/c1-16-12-22(2,3)15-23(13-16)20(28)26(21(29)24-23)14-19(27)33-11-10-32-17-6-8-18(9-7-17)34(30,31)25(4)5/h6-9,16H,10-15H2,1-5H3,(H,24,29)
InChIKeyHKYBGBPOBPDJMK-UHFFFAOYSA-N
MW495.60 g/mol
LogP2.00
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 24524058) has the molecular formula C23H33N3O7S and a molecular weight of 495.60 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID24524058
Molecular FormulaC23H33N3O7S
Molecular Weight495.60 g/mol
Exact Mass495.20
IUPAC Name2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)C2=O
InChIInChI=1S/C23H33N3O7S/c1-16-12-22(2,3)15-23(13-16)20(28)26(21(29)24-23)14-19(27)33-11-10-32-17-6-8-18(9-7-17)34(30,31)25(4)5/h6-9,16H,10-15H2,1-5H3,(H,24,29)
InChIKeyHKYBGBPOBPDJMK-UHFFFAOYSA-N
XLogP2.00
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)ethyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651688
2-(4-chlorophenoxy)ethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651672
2-(3-methylphenoxy)ethyl 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651677
2-ethoxyethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 119032165
2-ethoxyethyl 2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 95266650
2-ethoxyethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 95266651
cyclohexylmethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 29458864
[4-(4-cyanophenyl)phenyl] 2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 41169686
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46543943
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651798
N-methoxy-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43010885
[2-(4-ethylphenyl)-2-oxoethyl] 2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651777

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 24524058) is 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)C2=O.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is HKYBGBPOBPDJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O7S/c1-16-12-22(2,3)15-23(13-16)20(28)26(21(29)24-23)14-19(27)33-11-10-32-17-6-8-18(9-7-17)34(30,31)25(4)5/h6-9,16H,10-15H2,1-5H3,(H,24,29).
What are the key properties of 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 495.60 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 24524058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).