4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid

C15H17N3O6S — CID 70315718

IUPAC4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid
SMILESCc1noc(NS(=O)(=O)C(CC(=O)Nc2ccccc2)C(=O)O)c1C
InChIInChI=1S/C15H17N3O6S/c1-9-10(2)17-24-14(9)18-25(22,23)12(15(20)21)8-13(19)16-11-6-4-3-5-7-11/h3-7,12,18H,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyTVYIYGOTRQCDJA-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.52
Rot. Bonds7

About 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid

4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid (PubChem CID 70315718) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid
PubChem CID70315718
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid
SMILESCc1noc(NS(=O)(=O)C(CC(=O)Nc2ccccc2)C(=O)O)c1C
InChIInChI=1S/C15H17N3O6S/c1-9-10(2)17-24-14(9)18-25(22,23)12(15(20)21)8-13(19)16-11-6-4-3-5-7-11/h3-7,12,18H,8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyTVYIYGOTRQCDJA-UHFFFAOYSA-N
XLogP1.52
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid?
The IUPAC name of 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid (CID 70315718) is 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid?
The canonical SMILES for 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid is Cc1noc(NS(=O)(=O)C(CC(=O)Nc2ccccc2)C(=O)O)c1C.
What is the InChIKey of 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid?
The InChIKey is TVYIYGOTRQCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-9-10(2)17-24-14(9)18-25(22,23)12(15(20)21)8-13(19)16-11-6-4-3-5-7-11/h3-7,12,18H,8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid?
4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid has a molecular weight of 367.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-4-oxobutanoic acid is sourced from PubChem (CID 70315718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).