[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C22H23N3O6S — CID 4855860

IUPAC[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C22H23N3O6S/c1-14-10-11-17(32(28,29)25(3)4)12-18(14)23-19(26)13-30-22(27)20-15(2)31-24-21(20)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyOXHRJVSOIHSNSA-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.00
Rot. Bonds7

About [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 4855860) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID4855860
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C22H23N3O6S/c1-14-10-11-17(32(28,29)25(3)4)12-18(14)23-19(26)13-30-22(27)20-15(2)31-24-21(20)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyOXHRJVSOIHSNSA-UHFFFAOYSA-N
XLogP3.00
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 4855860) is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is OXHRJVSOIHSNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-14-10-11-17(32(28,29)25(3)4)12-18(14)23-19(26)13-30-22(27)20-15(2)31-24-21(20)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,23,26).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 457.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4855860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).