3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C19H24N2O5S — CID 20861441

IUPAC3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C2(CCCCC2)OC1=O
InChIInChI=1S/C19H24N2O5S/c1-13-16(19(26-18(13)23)10-3-2-4-11-19)17(22)21-12-9-14-5-7-15(8-6-14)27(20,24)25/h5-8H,2-4,9-12H2,1H3,(H,21,22)(H2,20,24,25)
InChIKeyUWGIWHSTUKLTNN-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.57
Rot. Bonds5

About 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861441) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861441
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C2(CCCCC2)OC1=O
InChIInChI=1S/C19H24N2O5S/c1-13-16(19(26-18(13)23)10-3-2-4-11-19)17(22)21-12-9-14-5-7-15(8-6-14)27(20,24)25/h5-8H,2-4,9-12H2,1H3,(H,21,22)(H2,20,24,25)
InChIKeyUWGIWHSTUKLTNN-UHFFFAOYSA-N
XLogP1.57
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910725
8-ethylsulfonyl-3-methyl-2-oxo-N-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789876
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
3,8-dimethyl-2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861344
8-acetyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 20906739
3,8-dimethyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861366
N-[2-(4-ethoxyphenyl)ethyl]-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 6622238
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
4-[2-[(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)amino]ethyl]benzenesulfonamide
CID 601834
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
4-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 110648736
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861441) is 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C2(CCCCC2)OC1=O.
What is the InChIKey of 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is UWGIWHSTUKLTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-16(19(26-18(13)23)10-3-2-4-11-19)17(22)21-12-9-14-5-7-15(8-6-14)27(20,24)25/h5-8H,2-4,9-12H2,1H3,(H,21,22)(H2,20,24,25).
What are the key properties of 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).