3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide

C15H19N3O4S — CID 24687486

IUPAC3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H19N3O4S/c1-3-13-14(10(2)22-18-13)15(19)17-9-8-11-4-6-12(7-5-11)23(16,20)21/h4-7H,3,8-9H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyYGISJBHRSBSDRV-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.17
Rot. Bonds6

About 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 24687486) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID24687486
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H19N3O4S/c1-3-13-14(10(2)22-18-13)15(19)17-9-8-11-4-6-12(7-5-11)23(16,20)21/h4-7H,3,8-9H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyYGISJBHRSBSDRV-UHFFFAOYSA-N
XLogP1.17
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
4-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 110648736
4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 9362533
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]furo[3,2-b]pyridine-2-carboxamide
CID 16907015
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130
2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109247115
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide (CID 24687486) is 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is YGISJBHRSBSDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-3-13-14(10(2)22-18-13)15(19)17-9-8-11-4-6-12(7-5-11)23(16,20)21/h4-7H,3,8-9H2,1-2H3,(H,17,19)(H2,16,20,21).
What are the key properties of 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24687486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).