N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide

C15H19N3O4S — CID 678193

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c1C
InChIInChI=1S/C15H19N3O4S/c1-9(2)14(19)16-12-5-7-13(8-6-12)23(20,21)18-15-10(3)11(4)17-22-15/h5-9,18H,1-4H3,(H,16,19)
InChIKeyZXJLGJNTALUWGG-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.69
Rot. Bonds5

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 678193) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID678193
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c1C
InChIInChI=1S/C15H19N3O4S/c1-9(2)14(19)16-12-5-7-13(8-6-12)23(20,21)18-15-10(3)11(4)17-22-15/h5-9,18H,1-4H3,(H,16,19)
InChIKeyZXJLGJNTALUWGG-UHFFFAOYSA-N
XLogP2.69
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfisoxazole
CID 5344
Sulfisoxazole Acetyl
CID 6662
Sulfisoxazole Diolamine
CID 20287
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2344397
3-Methyl-5-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 3774532
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
N-[8-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-2-yl]-acetamide
CID 9998564
N-(3,4-Dimethyl-isoxazol-5-yl)-4-fluoro-benzenesulfonamide
CID 10265127
N-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-1-yl]-acetamide
CID 10338501
N-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-1-yl]-isobutyramide
CID 10475320
N-(3,4-Dimethyl-isoxazol-5-yl)-2-fluoro-benzenesulfonamide
CID 10516176
4''-Isobutyl-2''-propylamino-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10599293

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide (CID 678193) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is ZXJLGJNTALUWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-9(2)14(19)16-12-5-7-13(8-6-12)23(20,21)18-15-10(3)11(4)17-22-15/h5-9,18H,1-4H3,(H,16,19).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 337.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 678193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).