N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide

C24H33N3O5S — CID 24501053

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)CC4(CCCCC4)C3=O)cc2)C1
InChIInChI=1S/C24H33N3O5S/c1-17-12-18(2)15-26(14-17)33(31,32)20-8-6-19(7-9-20)25-21(28)16-27-22(29)13-24(23(27)30)10-4-3-5-11-24/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,25,28)
InChIKeyYTLXQFYOCYMBIG-UHFFFAOYSA-N
MW475.61 g/mol
LogP3.00
Rot. Bonds5

About N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide (PubChem CID 24501053) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide
PubChem CID24501053
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)CC4(CCCCC4)C3=O)cc2)C1
InChIInChI=1S/C24H33N3O5S/c1-17-12-18(2)15-26(14-17)33(31,32)20-8-6-19(7-9-20)25-21(28)16-27-22(29)13-24(23(27)30)10-4-3-5-11-24/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,25,28)
InChIKeyYTLXQFYOCYMBIG-UHFFFAOYSA-N
XLogP3.00
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 17392528
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 27890730
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 43027565
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4034173
2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 99847117
N-cyclopropyl-2-[4-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30627581
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2441581
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-methoxyphenyl)acetamide
CID 7987505
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24558559
2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4278623

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide (CID 24501053) is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide is CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)CC4(CCCCC4)C3=O)cc2)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide?
The InChIKey is YTLXQFYOCYMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-17-12-18(2)15-26(14-17)33(31,32)20-8-6-19(7-9-20)25-21(28)16-27-22(29)13-24(23(27)30)10-4-3-5-11-24/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide?
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide has a molecular weight of 475.61 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide is sourced from PubChem (CID 24501053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).