N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C19H23ClN2O5S — CID 50789844

IUPACN-(5-chloro-2-methylphenyl)-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)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H23ClN2O5S/c1-4-28(25,26)22-9-7-19(8-10-22)16(13(3)18(24)27-19)17(23)21-15-11-14(20)6-5-12(15)2/h5-6,11H,4,7-10H2,1-3H3,(H,21,23)
InChIKeyBJJSASKQSUSLJD-UHFFFAOYSA-N
MW426.92 g/mol
LogP2.64
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 50789844) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID50789844
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC NameN-(5-chloro-2-methylphenyl)-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)Nc1cc(Cl)ccc1C
InChIInChI=1S/C19H23ClN2O5S/c1-4-28(25,26)22-9-7-19(8-10-22)16(13(3)18(24)27-19)17(23)21-15-11-14(20)6-5-12(15)2/h5-6,11H,4,7-10H2,1-3H3,(H,21,23)
InChIKeyBJJSASKQSUSLJD-UHFFFAOYSA-N
XLogP2.64
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.64
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
8-benzyl-N-(4-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757920
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-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642541
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
N-(4-chloro-2-methylphenyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921580
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
1-[(3-bromophenyl)methylsulfonyl]-N-(5-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 46770098
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
1-[(4-bromophenyl)methylsulfonyl]-N-(5-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 92676894
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 50789844) is N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-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)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is BJJSASKQSUSLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-4-28(25,26)22-9-7-19(8-10-22)16(13(3)18(24)27-19)17(23)21-15-11-14(20)6-5-12(15)2/h5-6,11H,4,7-10H2,1-3H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 426.92 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 50789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).