N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C20H26N2O5S — CID 50789870

IUPACN-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H26N2O5S/c1-5-28(25,26)22-10-8-20(9-11-22)17(15(4)19(24)27-20)18(23)21-16-7-6-13(2)14(3)12-16/h6-7,12H,5,8-11H2,1-4H3,(H,21,23)
InChIKeyXQTDHZNLJDYMJI-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.30
Rot. Bonds4

About N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 50789870) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID50789870
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H26N2O5S/c1-5-28(25,26)22-10-8-20(9-11-22)17(15(4)19(24)27-20)18(23)21-16-7-6-13(2)14(3)12-16/h6-7,12H,5,8-11H2,1-4H3,(H,21,23)
InChIKeyXQTDHZNLJDYMJI-UHFFFAOYSA-N
XLogP2.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-8-propan-2-yl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789888
N-(4-fluoro-2-methylphenyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789878
8-benzyl-N-(4-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757920
3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20937112
N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 46276222
N-cycloheptyl-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20937132
2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9443438
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789890
ethyl 4-(3-methoxypropylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275328
N-(3,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502749
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 50789870) is N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is XQTDHZNLJDYMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-28(25,26)22-10-8-20(9-11-22)17(15(4)19(24)27-20)18(23)21-16-7-6-13(2)14(3)12-16/h6-7,12H,5,8-11H2,1-4H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 50789870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).