N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide

C25H36N4O4S — CID 66817107

IUPACN-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCCCC2)NC3=O)c(C)c1
InChIInChI=1S/C25H36N4O4S/c1-17-15-21(26-19(3)30)16-18(2)22(17)9-14-34(32,33)29-12-10-25(11-13-29)24(31)27-23(28-25)20-7-5-4-6-8-20/h15-16,20H,4-14H2,1-3H3,(H,26,30)(H,27,28,31)
InChIKeyLHLQICQGNYYIJW-UHFFFAOYSA-N
MW488.65 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide

N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide (PubChem CID 66817107) has the molecular formula C25H36N4O4S and a molecular weight of 488.65 g/mol. Its IUPAC name is N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide
PubChem CID66817107
Molecular FormulaC25H36N4O4S
Molecular Weight488.65 g/mol
Exact Mass488.25
IUPAC NameN-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCCCC2)NC3=O)c(C)c1
InChIInChI=1S/C25H36N4O4S/c1-17-15-21(26-19(3)30)16-18(2)22(17)9-14-34(32,33)29-12-10-25(11-13-29)24(31)27-23(28-25)20-7-5-4-6-8-20/h15-16,20H,4-14H2,1-3H3,(H,26,30)(H,27,28,31)
InChIKeyLHLQICQGNYYIJW-UHFFFAOYSA-N
XLogP3.08
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide?
The IUPAC name of N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide (CID 66817107) is N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide?
The canonical SMILES for N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide is CC(=O)Nc1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCCCC2)NC3=O)c(C)c1.
What is the InChIKey of N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide?
The InChIKey is LHLQICQGNYYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4S/c1-17-15-21(26-19(3)30)16-18(2)22(17)9-14-34(32,33)29-12-10-25(11-13-29)24(31)27-23(28-25)20-7-5-4-6-8-20/h15-16,20H,4-14H2,1-3H3,(H,26,30)(H,27,28,31).
What are the key properties of N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide?
N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide has a molecular weight of 488.65 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethyl]-3,5-dimethylphenyl]acetamide is sourced from PubChem (CID 66817107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).