N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide

C18H25N3O5S — CID 18577950

IUPACN-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide
SMILESCCNC(=O)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25N3O5S/c1-3-19-16(22)17(23)20-10-8-18(9-11-20)21(12-13-26-18)27(24,25)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyJKFNZOPCZSJOCM-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.47
Rot. Bonds3

About N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide

N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide (PubChem CID 18577950) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide
PubChem CID18577950
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide
SMILESCCNC(=O)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25N3O5S/c1-3-19-16(22)17(23)20-10-8-18(9-11-20)21(12-13-26-18)27(24,25)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,19,22)
InChIKeyJKFNZOPCZSJOCM-UHFFFAOYSA-N
XLogP0.47
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide?
The IUPAC name of N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide (CID 18577950) is N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide.
What is the SMILES notation for N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide?
The canonical SMILES for N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide is CCNC(=O)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide?
The InChIKey is JKFNZOPCZSJOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-3-19-16(22)17(23)20-10-8-18(9-11-20)21(12-13-26-18)27(24,25)15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide?
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide has a molecular weight of 395.48 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-oxoacetamide is sourced from PubChem (CID 18577950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).