3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C19H24N2O5S — CID 20937112

IUPAC3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCc2ccccc2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O
InChIInChI=1S/C19H24N2O5S/c1-13-6-4-5-7-15(13)12-20-17(22)16-14(2)18(23)26-19(16)8-10-21(11-9-19)27(3,24)25/h4-7H,8-12H2,1-3H3,(H,20,22)
InChIKeyQHNGRJRVAGHTFB-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.28
Rot. Bonds4

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

3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20937112) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20937112
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCc2ccccc2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O
InChIInChI=1S/C19H24N2O5S/c1-13-6-4-5-7-15(13)12-20-17(22)16-14(2)18(23)26-19(16)8-10-21(11-9-19)27(3,24)25/h4-7H,8-12H2,1-3H3,(H,20,22)
InChIKeyQHNGRJRVAGHTFB-UHFFFAOYSA-N
XLogP1.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789878
N-[3-[benzyl(ethyl)amino]propyl]-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789841
8-ethylsulfonyl-3-methyl-2-oxo-N-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789876
8-acetyl-3-methyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46275292
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
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
N-(2,6-dimethylphenyl)-3-methyl-2-oxo-8-propan-2-yl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46335835
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
N-[(3-chlorophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861378
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20937158
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20937112) is 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)NCc2ccccc2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O.
What is the InChIKey of 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is QHNGRJRVAGHTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-6-4-5-7-15(13)12-20-17(22)16-14(2)18(23)26-19(16)8-10-21(11-9-19)27(3,24)25/h4-7H,8-12H2,1-3H3,(H,20,22).
What are the key properties of 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylphenyl)methyl]-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20937112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).